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Azolines

Organic heterocyclic compounds that consist of a five-membered ring made up of four carbon atoms and one nitrogen atom, and only one carbon - carbon double bond.
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1

Thermo Scientific Chemicals Irbesartan

CAS: 138402-11-6 Molecular Formula: C25H28N6O Molecular Weight (g/mol): 428.54 InChI Key: YOSHYTLCDANDAN-UHFFFAOYSA-N IUPAC Name: 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1

CAS 138402-11-6
Molecular Weight (g/mol) 428.54
SMILES CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
IUPAC Name 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
InChI Key YOSHYTLCDANDAN-UHFFFAOYSA-N
Molecular Formula C25H28N6O
2

2-Mercapto-1-methylimidazole, 98%

CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00179321 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S

PubChem CID 1349907
CAS 60-56-0
Molecular Weight (g/mol) 114.17
ChEBI CHEBI:50673
MDL Number MFCD00179321
SMILES CN1C=CNC1=S
Synonym methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol
IUPAC Name 3-methyl-1H-imidazole-2-thione
InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Molecular Formula C4H6N2S
3

3-Phenyl-1,2,4-triazole-5-thiol hydrate, 98%

CAS: 3414-94-6 Molecular Formula: C8H7N3S Molecular Weight (g/mol): 177.23 MDL Number: MFCD00051814 InChI Key: JRLMMJNORORYPO-UHFFFAOYSA-N Synonym: 5-phenyl-4h-1,2,4-triazole-3-thiol,5-phenyl-1h-1,2,4-triazole-3-thiol,3-phenyl-1h-1,2,4-triazole-5-thiol,3-phenyl-1,2,4-triazole-5-thiol,5-phenyl-s-triazole-3-thiol,5-phenyl-4h-1,2,4-triazol-3-yl hydrosulfide,1h-1,2,4-triazole-3-thiol, 5-phenyl,1,4-dihydro-5-phenyl-3h-1,2,4-triazole-3-thione,2-fenil-5-mercapto-1,3,4-triazolo italian,3h-1,2,4-triazole-3-thione, 1,4-dihydro-5-phenyl PubChem CID: 698268 IUPAC Name: 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione SMILES: S=C1NNC(=N1)C1=CC=CC=C1

PubChem CID 698268
CAS 3414-94-6
Molecular Weight (g/mol) 177.23
MDL Number MFCD00051814
SMILES S=C1NNC(=N1)C1=CC=CC=C1
Synonym 5-phenyl-4h-1,2,4-triazole-3-thiol,5-phenyl-1h-1,2,4-triazole-3-thiol,3-phenyl-1h-1,2,4-triazole-5-thiol,3-phenyl-1,2,4-triazole-5-thiol,5-phenyl-s-triazole-3-thiol,5-phenyl-4h-1,2,4-triazol-3-yl hydrosulfide,1h-1,2,4-triazole-3-thiol, 5-phenyl,1,4-dihydro-5-phenyl-3h-1,2,4-triazole-3-thione,2-fenil-5-mercapto-1,3,4-triazolo italian,3h-1,2,4-triazole-3-thione, 1,4-dihydro-5-phenyl
IUPAC Name 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
InChI Key JRLMMJNORORYPO-UHFFFAOYSA-N
Molecular Formula C8H7N3S
4

2-Oxazolidinone, 99%

CAS: 497-25-6 Molecular Formula: C3H5NO2 Molecular Weight (g/mol): 87.08 MDL Number: MFCD00005268 InChI Key: IZXIZTKNFFYFOF-UHFFFAOYSA-N Synonym: 2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone PubChem CID: 73949 ChEBI: CHEBI:1237 IUPAC Name: 1,3-oxazolidin-2-one SMILES: O=C1NCCO1

PubChem CID 73949
CAS 497-25-6
Molecular Weight (g/mol) 87.08
ChEBI CHEBI:1237
MDL Number MFCD00005268
SMILES O=C1NCCO1
Synonym 2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone
IUPAC Name 1,3-oxazolidin-2-one
InChI Key IZXIZTKNFFYFOF-UHFFFAOYSA-N
Molecular Formula C3H5NO2
5

5,6-Dichloro-2-mercaptobenzimidazole, 98%

CAS: 19462-98-7 Molecular Formula: C7H4Cl2N2S Molecular Weight (g/mol): 219.083 MDL Number: MFCD00052398 InChI Key: AFDOMGKBKBKUHB-UHFFFAOYSA-N PubChem CID: 2774259 IUPAC Name: 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione SMILES: C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2

PubChem CID 2774259
CAS 19462-98-7
Molecular Weight (g/mol) 219.083
MDL Number MFCD00052398
SMILES C1=C2C(=CC(=C1Cl)Cl)NC(=S)N2
IUPAC Name 5,6-dichloro-1,3-dihydrobenzimidazole-2-thione
InChI Key AFDOMGKBKBKUHB-UHFFFAOYSA-N
Molecular Formula C7H4Cl2N2S
6

5-Methoxy-2-mercaptobenzimidazole, 99+%

CAS: 37052-78-1 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.23 MDL Number: MFCD00134581 InChI Key: KOFBRZWVWJCLGM-UHFFFAOYSA-N Synonym: 5-methoxy-2-mercaptobenzimidazole,2-mercapto-5-methoxybenzimidazole,5-methoxy-1h-benzo d imidazole-2-thiol,5-methoxy-2-benzimidazolethiol,5-methoxy-1h-benzimidazole-2-thiol,5-methoxy-1h-1,3-benzodiazole-2-thiol,2-mercapto-5-methoxy-1h-benzimidazole,5-methoxy-1h-benzoimidazole-2-thiol,1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione,5-methoxybenzimidazole-2-thiol PubChem CID: 665603 IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazole-2-thione SMILES: COC1=CC=C2NC(=S)NC2=C1

PubChem CID 665603
CAS 37052-78-1
Molecular Weight (g/mol) 180.23
MDL Number MFCD00134581
SMILES COC1=CC=C2NC(=S)NC2=C1
Synonym 5-methoxy-2-mercaptobenzimidazole,2-mercapto-5-methoxybenzimidazole,5-methoxy-1h-benzo d imidazole-2-thiol,5-methoxy-2-benzimidazolethiol,5-methoxy-1h-benzimidazole-2-thiol,5-methoxy-1h-1,3-benzodiazole-2-thiol,2-mercapto-5-methoxy-1h-benzimidazole,5-methoxy-1h-benzoimidazole-2-thiol,1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione,5-methoxybenzimidazole-2-thiol
IUPAC Name 5-methoxy-1,3-dihydrobenzimidazole-2-thione
InChI Key KOFBRZWVWJCLGM-UHFFFAOYSA-N
Molecular Formula C8H8N2OS
7

2-Amino-2-thiazoline, 97%

CAS: 1779-81-3 Molecular Formula: C3H6N2S Molecular Weight (g/mol): 102.15 InChI Key: REGFWZVTTFGQOJ-UHFFFAOYSA-N Synonym: 2-aminothiazoline,2-amino-2-thiazoline,2-iminothiazolidine,4,5-dihydrothiazol-2-amine,2-thiazolidinimine,2-amino-4,5-dihydrothiazole,2-thiazolamine, 4,5-dihydro,2-thiazoline, 2-amino,usaf pd-57,2-amino-4,5-dihydrothiazoline PubChem CID: 15689 ChEBI: CHEBI:40889 IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine SMILES: C1CSC(=N1)N

PubChem CID 15689
CAS 1779-81-3
Molecular Weight (g/mol) 102.15
ChEBI CHEBI:40889
SMILES C1CSC(=N1)N
Synonym 2-aminothiazoline,2-amino-2-thiazoline,2-iminothiazolidine,4,5-dihydrothiazol-2-amine,2-thiazolidinimine,2-amino-4,5-dihydrothiazole,2-thiazolamine, 4,5-dihydro,2-thiazoline, 2-amino,usaf pd-57,2-amino-4,5-dihydrothiazoline
IUPAC Name 4,5-dihydro-1,3-thiazol-2-amine
InChI Key REGFWZVTTFGQOJ-UHFFFAOYSA-N
Molecular Formula C3H6N2S
8

2-Mercapto-5-methylbenzimidazole, 98%

CAS: 27231-36-3 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00010617 InChI Key: CWIYBOJLSWJGKV-UHFFFAOYSA-N Synonym: 2-mercapto-5-methylbenzimidazole,5-methyl-1h-benzo d imidazole-2 3h-thione,5-methyl-1h-benzimidazole-2-thiol,5-methyl-2-benzimidazolethiol,5-methyl-2-mercaptobenzimidazole,5-methyl-1h-1,3-benzodiazole-2-thiol,2h-benzimidazole-2-thione, 1,3-dihydro-5-methyl,1,3-dihydro-5-methyl-2h-benzimidazole-2-thione,5-methyl-1h-benzoimidazole-2-thiol,5-methylbenzimidazole-2-thiol PubChem CID: 712373 IUPAC Name: 5-methyl-1,3-dihydrobenzimidazole-2-thione SMILES: CC1=CC=C2NC(=S)NC2=C1

PubChem CID 712373
CAS 27231-36-3
Molecular Weight (g/mol) 164.23
MDL Number MFCD00010617
SMILES CC1=CC=C2NC(=S)NC2=C1
Synonym 2-mercapto-5-methylbenzimidazole,5-methyl-1h-benzo d imidazole-2 3h-thione,5-methyl-1h-benzimidazole-2-thiol,5-methyl-2-benzimidazolethiol,5-methyl-2-mercaptobenzimidazole,5-methyl-1h-1,3-benzodiazole-2-thiol,2h-benzimidazole-2-thione, 1,3-dihydro-5-methyl,1,3-dihydro-5-methyl-2h-benzimidazole-2-thione,5-methyl-1h-benzoimidazole-2-thiol,5-methylbenzimidazole-2-thiol
IUPAC Name 5-methyl-1,3-dihydrobenzimidazole-2-thione
InChI Key CWIYBOJLSWJGKV-UHFFFAOYSA-N
Molecular Formula C8H8N2S
9

2-Methyl-2-oxazoline, 99%

CAS: 1120-64-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00005298 InChI Key: GUXJXWKCUUWCLX-UHFFFAOYSA-N Synonym: 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline PubChem CID: 70713 ChEBI: CHEBI:53614 IUPAC Name: 2-methyl-4,5-dihydro-1,3-oxazole SMILES: CC1=NCCO1

PubChem CID 70713
CAS 1120-64-5
Molecular Weight (g/mol) 85.11
ChEBI CHEBI:53614
MDL Number MFCD00005298
SMILES CC1=NCCO1
Synonym 2-methyl-2-oxazoline,2-methyloxazoline,2-methyl-4,5-dihydrooxazole,oxazole, 4,5-dihydro-2-methyl,2-methyl-2-oxazolin,2-methyl-1,3-oxazoline,2-oxazoline, 2-methyl,4,5-dihydro-2-methyl-1,3-oxazole,poly 2-methyl-2-oxazoline,methyl oxazoline
IUPAC Name 2-methyl-4,5-dihydro-1,3-oxazole
InChI Key GUXJXWKCUUWCLX-UHFFFAOYSA-N
Molecular Formula C4H7NO
10

2-Amino-5-bromothiazole monohydrobromide, 95%

CAS: 61296-22-8 Molecular Formula: C3H3BrN2S·HBr Molecular Weight (g/mol): 259.95 MDL Number: MFCD00012712 InChI Key: NUSVDASTCPBUIP-UHFFFAOYSA-N Synonym: 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7 PubChem CID: 2723848 IUPAC Name: 5-bromo-1,3-thiazol-2-amine;hydrobromide SMILES: C1=C(SC(=N1)N)Br.Br

PubChem CID 2723848
CAS 61296-22-8
Molecular Weight (g/mol) 259.95
MDL Number MFCD00012712
SMILES C1=C(SC(=N1)N)Br.Br
Synonym 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7
IUPAC Name 5-bromo-1,3-thiazol-2-amine;hydrobromide
InChI Key NUSVDASTCPBUIP-UHFFFAOYSA-N
Molecular Formula C3H3BrN2S·HBr
11

2-Mercaptobenzimidazole, 98%

CAS: 583-39-1 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD00466107 InChI Key: YHMYGUUIMTVXNW-UHFFFAOYSA-N Synonym: 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb PubChem CID: 707035 SMILES: S=C1NC2=CC=CC=C2N1

PubChem CID 707035
CAS 583-39-1
Molecular Weight (g/mol) 150.20
MDL Number MFCD00466107
SMILES S=C1NC2=CC=CC=C2N1
Synonym 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb
InChI Key YHMYGUUIMTVXNW-UHFFFAOYSA-N
Molecular Formula C7H6N2S
12

2-Methyl-2-thiazoline, 97%

CAS: 2346-00-1 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.17 MDL Number: MFCD00005314 InChI Key: JUIQOABNSLTJSW-UHFFFAOYSA-N Synonym: 2-methyl-2-thiazoline,2-methylthiazoline,thiazole, 4,5-dihydro-2-methyl,2-methyl-4,5-dihydrothiazole,4,5-dihydro-2-methylthiazole,methyl-2-thiazoline,2-thiazoline, 2-methyl,unii-8z6ua8v7wn,methyl-2 delta-2 thiazoline,methyl-2 delta-2 thiazoline french PubChem CID: 16867 IUPAC Name: 2-methyl-4,5-dihydro-1,3-thiazole SMILES: CC1=NCCS1

PubChem CID 16867
CAS 2346-00-1
Molecular Weight (g/mol) 101.17
MDL Number MFCD00005314
SMILES CC1=NCCS1
Synonym 2-methyl-2-thiazoline,2-methylthiazoline,thiazole, 4,5-dihydro-2-methyl,2-methyl-4,5-dihydrothiazole,4,5-dihydro-2-methylthiazole,methyl-2-thiazoline,2-thiazoline, 2-methyl,unii-8z6ua8v7wn,methyl-2 delta-2 thiazoline,methyl-2 delta-2 thiazoline french
IUPAC Name 2-methyl-4,5-dihydro-1,3-thiazole
InChI Key JUIQOABNSLTJSW-UHFFFAOYSA-N
Molecular Formula C4H7NS
13

2-Ethyl-2-oxazoline, 99+%

CAS: 10431-98-8 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.13 MDL Number: MFCD00005302 InChI Key: NYEZZYQZRQDLEH-UHFFFAOYSA-N Synonym: 2-ethyl-2-oxazoline,2-ethyloxazoline,2-ethyl-4,5-dihydrooxazole,oxazole, 2-ethyl-4,5-dihydro,2-oxazoline, 2-ethyl,unii-b8cd92t4p5,unii-jm7uh9q3yn,unii-hnx7574gtx,unii-s5dpg6k67i,ethyl oxazoline PubChem CID: 66412 IUPAC Name: 2-ethyl-4,5-dihydro-1,3-oxazole SMILES: CCC1=NCCO1

PubChem CID 66412
CAS 10431-98-8
Molecular Weight (g/mol) 99.13
MDL Number MFCD00005302
SMILES CCC1=NCCO1
Synonym 2-ethyl-2-oxazoline,2-ethyloxazoline,2-ethyl-4,5-dihydrooxazole,oxazole, 2-ethyl-4,5-dihydro,2-oxazoline, 2-ethyl,unii-b8cd92t4p5,unii-jm7uh9q3yn,unii-hnx7574gtx,unii-s5dpg6k67i,ethyl oxazoline
IUPAC Name 2-ethyl-4,5-dihydro-1,3-oxazole
InChI Key NYEZZYQZRQDLEH-UHFFFAOYSA-N
Molecular Formula C5H9NO
14

2-Mercaptoimidazole, 98%

CAS: 872-35-5 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005188 InChI Key: OXFSTTJBVAAALW-UHFFFAOYSA-N Synonym: 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole PubChem CID: 1201386 IUPAC Name: 2,3-dihydro-1H-imidazole-2-thione SMILES: SC1=NC=CN1

PubChem CID 1201386
CAS 872-35-5
Molecular Weight (g/mol) 100.14
MDL Number MFCD00005188
SMILES SC1=NC=CN1
Synonym 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole
IUPAC Name 2,3-dihydro-1H-imidazole-2-thione
InChI Key OXFSTTJBVAAALW-UHFFFAOYSA-N
Molecular Formula C3H4N2S
15

Creatinine, 98%

CAS: 60-27-5 Molecular Formula: C4H7N3O Molecular Weight (g/mol): 113.12 InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N Synonym: creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu PubChem CID: 588 ChEBI: CHEBI:16737 IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one SMILES: CN1CC(=O)N=C1N

PubChem CID 588
CAS 60-27-5
Molecular Weight (g/mol) 113.12
ChEBI CHEBI:16737
SMILES CN1CC(=O)N=C1N
Synonym creatinine,2-imino-1-methylimidazolidin-4-one,1-methylglycocyamidine,1-methylhydantoin-2-imide,creatinine,heated,4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl,2-amino-1-methylimidazolin-4-one,creatinina,kreatinin,unii-ayi8ex34eu
IUPAC Name 2-amino-3-methyl-4H-imidazol-5-one
InChI Key DDRJAANPRJIHGJ-UHFFFAOYSA-N
Molecular Formula C4H7N3O