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Thioureas

Organosulfur compounds that have a thiocarbonyl functional group bonded to a nitrogen atom at each side and each nitrogen is bonded to a carbon atom; they are structurally similar to urea, except that the oxygen atom is replaced by a sulfur atom.
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1

Thiourea, 99+%, ACS reagent

CAS: 62-56-6 Molecular Formula: CH4N2S Molecular Weight (g/mol): 76.12 MDL Number: MFCD00008067 InChI Key: UMGDCJDMYOKAJW-UHFFFAOYSA-N Synonym: thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio PubChem CID: 2723790 ChEBI: CHEBI:36946 IUPAC Name: thiourea SMILES: NC(N)=S

PubChem CID 2723790
CAS 62-56-6
Molecular Weight (g/mol) 76.12
ChEBI CHEBI:36946
MDL Number MFCD00008067
SMILES NC(N)=S
Synonym thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio
IUPAC Name thiourea
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Molecular Formula CH4N2S
2

Monastrol, 98%, Thermo Scientific Chemicals

CAS: 329689-23-8 Molecular Formula: C14H16N2O3S Molecular Weight (g/mol): 292.353 MDL Number: MFCD00813077 InChI Key: LOBCDGHHHHGHFA-UHFFFAOYSA-N Synonym: monastrol,ethyl 4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4h-pyrimidin-5-carboxylic acid ethyl ester,d0zk2g,monastrol hplc , solid,inverted exclamation marka-monastrol,6-methyl-4-3-hydroxyphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5-carboxy late PubChem CID: 2987927 ChEBI: CHEBI:75382 IUPAC Name: ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C

PubChem CID 2987927
CAS 329689-23-8
Molecular Weight (g/mol) 292.353
ChEBI CHEBI:75382
MDL Number MFCD00813077
SMILES CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)O)C
Synonym monastrol,ethyl 4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,4-3-hydroxyphenyl-6-methyl-2-thioxo-1,2,3,4-tetrahydro-4h-pyrimidin-5-carboxylic acid ethyl ester,d0zk2g,monastrol hplc , solid,inverted exclamation marka-monastrol,6-methyl-4-3-hydroxyphenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-2-mercapto-4-methyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate,ethyl 6-3-hydroxyphenyl-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5-carboxy late
IUPAC Name ethyl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI Key LOBCDGHHHHGHFA-UHFFFAOYSA-N
Molecular Formula C14H16N2O3S
3

N,N,N',N'-Tetramethylthiourea, 98%

CAS: 2782-91-4 Molecular Formula: C5H12N2S Molecular Weight (g/mol): 132.23 MDL Number: MFCD00008324 InChI Key: MNOILHPDHOHILI-UHFFFAOYSA-N Synonym: tetramethylthiourea,thiourea, tetramethyl,basthioryl,1,1,3,3-tetramethyl-2-thiourea,tmtu,n,n,n',n'-tetramethylthiourea,urea, thio-, tetramethyl,tetramethyl-2-thiourea,urea, 1,1,3,3-tetramethyl-2-thio,thiourea, n,n,n',n'-tetramethyl PubChem CID: 17725 IUPAC Name: 1,1,3,3-tetramethylthiourea SMILES: CN(C)C(=S)N(C)C

PubChem CID 17725
CAS 2782-91-4
Molecular Weight (g/mol) 132.23
MDL Number MFCD00008324
SMILES CN(C)C(=S)N(C)C
Synonym tetramethylthiourea,thiourea, tetramethyl,basthioryl,1,1,3,3-tetramethyl-2-thiourea,tmtu,n,n,n',n'-tetramethylthiourea,urea, thio-, tetramethyl,tetramethyl-2-thiourea,urea, 1,1,3,3-tetramethyl-2-thio,thiourea, n,n,n',n'-tetramethyl
IUPAC Name 1,1,3,3-tetramethylthiourea
InChI Key MNOILHPDHOHILI-UHFFFAOYSA-N
Molecular Formula C5H12N2S
4

N,N'-Diethylthiourea, 98%

CAS: 105-55-5 Molecular Formula: C5H12N2S Molecular Weight (g/mol): 132.23 MDL Number: MFCD00004925 InChI Key: FLVIGYVXZHLUHP-UHFFFAOYSA-N Synonym: 1,3-diethyl-2-thiourea,n,n'-diethylthiourea,pennzone e,thiourea, n,n'-diethyl,thiate h,n,n'-diethylthiocarbamide,urea, 1,3-diethyl-2-thio,usaf ek-1803,n,n-diethyl-2-thiourea,diethylthiourea PubChem CID: 2735009 ChEBI: CHEBI:82448 IUPAC Name: 1,3-diethylthiourea SMILES: CCNC(=S)NCC

PubChem CID 2735009
CAS 105-55-5
Molecular Weight (g/mol) 132.23
ChEBI CHEBI:82448
MDL Number MFCD00004925
SMILES CCNC(=S)NCC
Synonym 1,3-diethyl-2-thiourea,n,n'-diethylthiourea,pennzone e,thiourea, n,n'-diethyl,thiate h,n,n'-diethylthiocarbamide,urea, 1,3-diethyl-2-thio,usaf ek-1803,n,n-diethyl-2-thiourea,diethylthiourea
IUPAC Name 1,3-diethylthiourea
InChI Key FLVIGYVXZHLUHP-UHFFFAOYSA-N
Molecular Formula C5H12N2S
5

Thiourea, 99%, extra pure

CAS: 62-56-6 Molecular Formula: CH4N2S Molecular Weight (g/mol): 76.12 MDL Number: MFCD00008067 InChI Key: UMGDCJDMYOKAJW-UHFFFAOYSA-N Synonym: thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio PubChem CID: 2723790 ChEBI: CHEBI:36946 IUPAC Name: thiourea SMILES: NC(N)=S

PubChem CID 2723790
CAS 62-56-6
Molecular Weight (g/mol) 76.12
ChEBI CHEBI:36946
MDL Number MFCD00008067
SMILES NC(N)=S
Synonym thiocarbamide,2-thiourea,pseudothiourea,isothiourea,sulourea,2-thiopseudourea,sulfourea,thiuronium,thiocarbonic acid diamide,urea, thio
IUPAC Name thiourea
InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N
Molecular Formula CH4N2S
6

N-(n-Propyl)thiourea, 98%

CAS: 927-67-3 Molecular Formula: C4H10N2S Molecular Weight (g/mol): 118.20 MDL Number: MFCD00041195 InChI Key: UHGKYJXJYJWDAM-UHFFFAOYSA-N Synonym: n-propylthiourea,1-propyl-2-thiourea,1-propylthiourea,propyl-2-thiourea,thiourea, propyl,thiourea, n-propyl,propyl isothiourea,thiourea,n-propyl,n-n-propyl thiourea,n-prop-2-en-1-ylthioformamide PubChem CID: 1615208 IUPAC Name: propylthiourea SMILES: CCCNC(N)=S

PubChem CID 1615208
CAS 927-67-3
Molecular Weight (g/mol) 118.20
MDL Number MFCD00041195
SMILES CCCNC(N)=S
Synonym n-propylthiourea,1-propyl-2-thiourea,1-propylthiourea,propyl-2-thiourea,thiourea, propyl,thiourea, n-propyl,propyl isothiourea,thiourea,n-propyl,n-n-propyl thiourea,n-prop-2-en-1-ylthioformamide
IUPAC Name propylthiourea
InChI Key UHGKYJXJYJWDAM-UHFFFAOYSA-N
Molecular Formula C4H10N2S
7

6-Methyl-2-thiouracil, 98%

CAS: 56-04-2 Molecular Formula: C5H6N2OS Molecular Weight (g/mol): 142.18 MDL Number: MFCD00006040 InChI Key: HWGBHCRJGXAGEU-UHFFFAOYSA-N Synonym: methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol PubChem CID: 667493 ChEBI: CHEBI:82346 IUPAC Name: 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one SMILES: CC1=CC(=O)NC(=S)N1

PubChem CID 667493
CAS 56-04-2
Molecular Weight (g/mol) 142.18
ChEBI CHEBI:82346
MDL Number MFCD00006040
SMILES CC1=CC(=O)NC(=S)N1
Synonym methylthiouracil,6-methyl-2-thiouracil,methiocil,4-hydroxy-2-mercapto-6-methylpyrimidine,thimecil,thiomecil,thiothymin,alkiron,metacil,2-mercapto-6-methylpyrimidin-4-ol
IUPAC Name 6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI Key HWGBHCRJGXAGEU-UHFFFAOYSA-N
Molecular Formula C5H6N2OS
8

N-(2-Pyridyl)thiourea, 98%

CAS: 14294-11-2 Molecular Formula: C6H7N3S Molecular Weight (g/mol): 153.20 MDL Number: MFCD00041227 InChI Key: SLUHLANJIVXTRQ-UHFFFAOYSA-N Synonym: 1-pyridin-2-yl thiourea,2-pyridylthiourea,1-pyridin-2-ylthiourea,1-2-pyridyl-2-thiourea,n-2-pyridinyl-thiourea,pyridin-2-yl thiourea,pyridin-2-yl-thiourea,n-pyridin-2-ylthiourea,n-2-pyridinyl thiourea,2-pyridyl thiourea PubChem CID: 1490491 IUPAC Name: pyridin-2-ylthiourea SMILES: NC(=S)NC1=CC=CC=N1

PubChem CID 1490491
CAS 14294-11-2
Molecular Weight (g/mol) 153.20
MDL Number MFCD00041227
SMILES NC(=S)NC1=CC=CC=N1
Synonym 1-pyridin-2-yl thiourea,2-pyridylthiourea,1-pyridin-2-ylthiourea,1-2-pyridyl-2-thiourea,n-2-pyridinyl-thiourea,pyridin-2-yl thiourea,pyridin-2-yl-thiourea,n-pyridin-2-ylthiourea,n-2-pyridinyl thiourea,2-pyridyl thiourea
IUPAC Name pyridin-2-ylthiourea
InChI Key SLUHLANJIVXTRQ-UHFFFAOYSA-N
Molecular Formula C6H7N3S
9

ThioUrea, ≥99.999% (metals basis), MilliporeSigma™ Supelco™

MDL Number: MFCD00008067 Synonym: Sulfourea; Thiocarbamide

MDL Number MFCD00008067
Synonym Sulfourea; Thiocarbamide
10

Allylthiourea, 98%

CAS: 109-57-9 MDL Number: MFCD00004940 InChI Key: HTKFORQRBXIQHD-UHFFFAOYSA-N Synonym: allylthiourea,n-allylthiourea,thiosinamine,1-allyl-2-thiourea,rhodalline,thiosinamin,tiosinamine,1-allylthiourea,aminosin,rhodallin PubChem CID: 1549517 ChEBI: CHEBI:74079 IUPAC Name: prop-2-enylthiourea SMILES: C=CCNC(=S)N

PubChem CID 1549517
CAS 109-57-9
ChEBI CHEBI:74079
MDL Number MFCD00004940
SMILES C=CCNC(=S)N
Synonym allylthiourea,n-allylthiourea,thiosinamine,1-allyl-2-thiourea,rhodalline,thiosinamin,tiosinamine,1-allylthiourea,aminosin,rhodallin
IUPAC Name prop-2-enylthiourea
InChI Key HTKFORQRBXIQHD-UHFFFAOYSA-N
11

N,N'-Di-n-butylthiourea, 98%

CAS: 109-46-6 Molecular Formula: C9H20N2S Molecular Weight (g/mol): 188.333 MDL Number: MFCD00004926 InChI Key: KFFQABQEJATQAT-UHFFFAOYSA-N Synonym: 1,3-dibutyl-2-thiourea,n,n'-dibutylthiourea,thiourea, n,n'-dibutyl,pennzone b,n,n'-di-n-butylthiourea,thiate u,1,3-di-n-butyl-2-thiourea,urea, 1,3-dibutyl-2-thio,usaf ek-2138,urea, 1,3-di-n-butyl-2-thio PubChem CID: 2723622 IUPAC Name: 1,3-dibutylthiourea SMILES: CCCCNC(=S)NCCCC

PubChem CID 2723622
CAS 109-46-6
Molecular Weight (g/mol) 188.333
MDL Number MFCD00004926
SMILES CCCCNC(=S)NCCCC
Synonym 1,3-dibutyl-2-thiourea,n,n'-dibutylthiourea,thiourea, n,n'-dibutyl,pennzone b,n,n'-di-n-butylthiourea,thiate u,1,3-di-n-butyl-2-thiourea,urea, 1,3-dibutyl-2-thio,usaf ek-2138,urea, 1,3-di-n-butyl-2-thio
IUPAC Name 1,3-dibutylthiourea
InChI Key KFFQABQEJATQAT-UHFFFAOYSA-N
Molecular Formula C9H20N2S
12

N-Methylthiourea, 97+%

CAS: 598-52-7 Molecular Formula: C2H6N2S Molecular Weight (g/mol): 90.144 MDL Number: MFCD00004938 InChI Key: KQJQICVXLJTWQD-UHFFFAOYSA-N Synonym: n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio PubChem CID: 2723704 IUPAC Name: methylthiourea SMILES: CNC(=S)N

PubChem CID 2723704
CAS 598-52-7
Molecular Weight (g/mol) 90.144
MDL Number MFCD00004938
SMILES CNC(=S)N
Synonym n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio
IUPAC Name methylthiourea
InChI Key KQJQICVXLJTWQD-UHFFFAOYSA-N
Molecular Formula C2H6N2S
13

2-Imidazolidinethione, 98%

CAS: 96-45-7 Molecular Formula: C3H6N2S Molecular Weight (g/mol): 102.16 MDL Number: MFCD00005276 InChI Key: PDQAZBWRQCGBEV-UHFFFAOYSA-N Synonym: 2-imidazolidinethione,ethylenethiourea,ethylene thiourea,2-mercaptoimidazoline,imidazolidinethione,n,n'-ethylenethiourea,mercazin i,warecure c,rhenogran etu,mercaptoimidazoline PubChem CID: 2723650 ChEBI: CHEBI:34750 IUPAC Name: imidazolidine-2-thione SMILES: S=C1NCCN1

PubChem CID 2723650
CAS 96-45-7
Molecular Weight (g/mol) 102.16
ChEBI CHEBI:34750
MDL Number MFCD00005276
SMILES S=C1NCCN1
Synonym 2-imidazolidinethione,ethylenethiourea,ethylene thiourea,2-mercaptoimidazoline,imidazolidinethione,n,n'-ethylenethiourea,mercazin i,warecure c,rhenogran etu,mercaptoimidazoline
IUPAC Name imidazolidine-2-thione
InChI Key PDQAZBWRQCGBEV-UHFFFAOYSA-N
Molecular Formula C3H6N2S
14

N-Methylthiourea, 97%

CAS: 598-52-7 Molecular Formula: C2H6N2S Molecular Weight (g/mol): 90.14 MDL Number: MFCD00004938 InChI Key: KQJQICVXLJTWQD-UHFFFAOYSA-N Synonym: n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio PubChem CID: 2723704 IUPAC Name: methylthiourea SMILES: CNC(=S)N

PubChem CID 2723704
CAS 598-52-7
Molecular Weight (g/mol) 90.14
MDL Number MFCD00004938
SMILES CNC(=S)N
Synonym n-methylthiourea,1-methylthiourea,1-methyl-2-thiourea,methylthiocarbamide,thiourea, methyl,monomethylthiourea,1-methylthiocarbamide,methyl thiourea,n-methylthiocarbamide,urea, 1-methyl-2-thio
IUPAC Name methylthiourea
InChI Key KQJQICVXLJTWQD-UHFFFAOYSA-N
Molecular Formula C2H6N2S
15

VETRANAL™ 6-Methyl-2-Thiouracil Analytical Standard, MilliporeSigma™ Supelco™

Linear Formula C5H6N2OS
CAS 56-04-2
MDL Number MFCD00006040
Physical Form Neat
Health Hazard 1 H317
UN Number UN 3077 9/PGIII
Grade Analytical Standard
Synonym 4-Hydroxy-2-mercapto 6-methylpyrimidine; MZU
RTECS Number YR0875000
Shelf Life Limited shelf life, expiry date on the label
Molecular Formula C5H6N2OS
Formula Weight 142.18
Melting Point ∼330°C (decomposition) (literature)