Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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Imidazole (Certified), Fisher Chemical

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

2-(Bromomethyl)-5-(trifluoromethyl)furan, 97%, Thermo Scientific™

CAS: 17515-77-4 Molecular Formula: C6H4BrF3O Molecular Weight (g/mol): 229.00 MDL Number: MFCD03086219 InChI Key: YNHVBNGRNNVEMD-UHFFFAOYSA-N Synonym: 2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan PubChem CID: 2794605 IUPAC Name: 2-(bromomethyl)-5-(trifluoromethyl)furan SMILES: FC(F)(F)C1=CC=C(CBr)O1

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PubChem CID	2794605
CAS	17515-77-4
Molecular Weight (g/mol)	229.00
MDL Number	MFCD03086219
SMILES	FC(F)(F)C1=CC=C(CBr)O1
Synonym	2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan
IUPAC Name	2-(bromomethyl)-5-(trifluoromethyl)furan
InChI Key	YNHVBNGRNNVEMD-UHFFFAOYSA-N
Molecular Formula	C6H4BrF3O

Imidazole (Molecular Biology), Fisher BioReagents™,50g

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Specifications

PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

2-(4-Pyridyl)benzimidazole, 97%

CAS: 2208-59-5 Molecular Formula: C12H9N3 Molecular Weight (g/mol): 195.23 MDL Number: MFCD00453948 InChI Key: UYWWLYCGNNCLKE-UHFFFAOYSA-N Synonym: 2-4-pyridyl benzimidazole,2-pyridin-4-yl-1h-benzo d imidazole,2-pyridin-4-yl-1h-benzimidazole,2-pyridin-4-yl-1h-1,3-benzodiazole,2-4-pyridyl-1h-benzimidazole,2-pyridin-4-yl-1h-benzoimidazole,2-benzimidazole,acmc-1ch3h,cambridge id 5231114,2-4-pyridinyl-benzimidazole PubChem CID: 247634 IUPAC Name: 2-pyridin-4-yl-1H-benzimidazole SMILES: N1C2=CC=CC=C2N=C1C1=CC=NC=C1

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PubChem CID	247634
CAS	2208-59-5
Molecular Weight (g/mol)	195.23
MDL Number	MFCD00453948
SMILES	N1C2=CC=CC=C2N=C1C1=CC=NC=C1
Synonym	2-4-pyridyl benzimidazole,2-pyridin-4-yl-1h-benzo d imidazole,2-pyridin-4-yl-1h-benzimidazole,2-pyridin-4-yl-1h-1,3-benzodiazole,2-4-pyridyl-1h-benzimidazole,2-pyridin-4-yl-1h-benzoimidazole,2-benzimidazole,acmc-1ch3h,cambridge id 5231114,2-4-pyridinyl-benzimidazole
IUPAC Name	2-pyridin-4-yl-1H-benzimidazole
InChI Key	UYWWLYCGNNCLKE-UHFFFAOYSA-N
Molecular Formula	C12H9N3

3-n-Dodecylthiophene, 97%

CAS: 104934-52-3 Molecular Formula: C16H28S Molecular Weight (g/mol): 252.46 MDL Number: MFCD00130121,MFCD31699966 InChI Key: RFKWIEFTBMACPZ-UHFFFAOYSA-N Synonym: 3-laurylthiophene,thiophene, 3-dodecyl,poly,3-n-dodecylthiophene,3-dodecyl thiophene,1-thien-3-yl dodecane,acmc-1boc7,3-dodecylthiophene,ksc174a5h,bidd:gt0253 PubChem CID: 2733655 IUPAC Name: 3-dodecylthiophene SMILES: CCCCCCCCCCCCC1=CSC=C1

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Specifications

PubChem CID	2733655
CAS	104934-52-3
Molecular Weight (g/mol)	252.46
MDL Number	MFCD00130121,MFCD31699966
SMILES	CCCCCCCCCCCCC1=CSC=C1
Synonym	3-laurylthiophene,thiophene, 3-dodecyl,poly,3-n-dodecylthiophene,3-dodecyl thiophene,1-thien-3-yl dodecane,acmc-1boc7,3-dodecylthiophene,ksc174a5h,bidd:gt0253
IUPAC Name	3-dodecylthiophene
InChI Key	RFKWIEFTBMACPZ-UHFFFAOYSA-N
Molecular Formula	C16H28S

Pyrimidine, 99%

CAS: 289-95-2 Molecular Formula: C₄H₄N₂ Molecular Weight (g/mol): 80.09 MDL Number: MFCD00006059 InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N Synonym: 1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l PubChem CID: 9260 ChEBI: CHEBI:16898 IUPAC Name: pyrimidine SMILES: C1=CN=CN=C1

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Specifications

PubChem CID	9260
CAS	289-95-2
Molecular Weight (g/mol)	80.09
ChEBI	CHEBI:16898
MDL Number	MFCD00006059
SMILES	C1=CN=CN=C1
Synonym	1,3-diazine,metadiazine,m-diazine,miazine,1,3-diazabenzene,base,1,3-diazin,pyrimidin,unii-k8cxk5q32l,k8cxk5q32l
IUPAC Name	pyrimidine
InChI Key	CZPWVGJYEJSRLH-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂

4-Cyanopyridine, 98%

CAS: 100-48-1 Molecular Formula: C6H4N2 Molecular Weight (g/mol): 104.112 MDL Number: MFCD00006417 InChI Key: GPHQHTOMRSGBNZ-UHFFFAOYSA-N Synonym: 4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155 PubChem CID: 7506 ChEBI: CHEBI:28020 IUPAC Name: pyridine-4-carbonitrile SMILES: C1=CN=CC=C1C#N

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Specifications

PubChem CID	7506
CAS	100-48-1
Molecular Weight (g/mol)	104.112
ChEBI	CHEBI:28020
MDL Number	MFCD00006417
SMILES	C1=CN=CC=C1C#N
Synonym	4-cyanopyridine,isonicotinonitrile,4-pyridinecarbonitrile,isonicotinic acid nitrile,4-pyridinenitrile,4-cyano pyridine,.gamma.-cyanopyridine,gamma-cyanopyridine,p-cyanopyridine,pubchem11155
IUPAC Name	pyridine-4-carbonitrile
InChI Key	GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Molecular Formula	C6H4N2

5-Azacytosine, 98% (dry wt.), may cont. up to ca 7% water

CAS: 931-86-2 Molecular Formula: C3H4N4O Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006033,MFCD00149402,MFCD00051007 InChI Key: MFEFTTYGMZOIKO-UHFFFAOYSA-N Synonym: 5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one PubChem CID: 19956 ChEBI: CHEBI:72474 SMILES: NC1=NC=NC(=O)N1

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PubChem CID	19956
CAS	931-86-2
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:72474
MDL Number	MFCD00006033,MFCD00149402,MFCD00051007
SMILES	NC1=NC=NC(=O)N1
Synonym	5-azacytosine,1,3,5-triazin-2 1h-one, 4-amino,4-amino-1,3,5-triazin-2 1h-one,4-amino-1,3,5-triazin-2-ol,4-amino-1,3,5-triazin-2-one,s-triazin-2 1h-one, 4-amino,s-triazin-2-ol, 4-amino,2-amino-4-hydroxy-s-triazine,6-amino-1,3,5-triazin-2 1h-one,4-amino-s-triazin-2 1h-one
InChI Key	MFEFTTYGMZOIKO-UHFFFAOYSA-N
Molecular Formula	C3H4N4O

2-Cyanothiazole, 95%

CAS: 1452-16-0 Molecular Formula: C4H2N2S Molecular Weight (g/mol): 110.134 MDL Number: MFCD09702472 InChI Key: ZIRGWUZHKJDYKT-UHFFFAOYSA-N Synonym: 2-cyanothiazole,thiazole-2-carbonitrile,2-thiazolecarbonitrile,2-cyanothiazol PubChem CID: 15111480 IUPAC Name: 1,3-thiazole-2-carbonitrile SMILES: C1=CSC(=N1)C#N

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Specifications

PubChem CID	15111480
CAS	1452-16-0
Molecular Weight (g/mol)	110.134
MDL Number	MFCD09702472
SMILES	C1=CSC(=N1)C#N
Synonym	2-cyanothiazole,thiazole-2-carbonitrile,2-thiazolecarbonitrile,2-cyanothiazol
IUPAC Name	1,3-thiazole-2-carbonitrile
InChI Key	ZIRGWUZHKJDYKT-UHFFFAOYSA-N
Molecular Formula	C4H2N2S

3-Thiophenemethanol, 97%

CAS: 71637-34-8 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014534 InChI Key: BOWIFWCBNWWZOG-UHFFFAOYSA-N Synonym: 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol PubChem CID: 123570 SMILES: OCC1=CSC=C1

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Specifications

PubChem CID	123570
CAS	71637-34-8
Molecular Weight (g/mol)	114.16
MDL Number	MFCD00014534
SMILES	OCC1=CSC=C1
Synonym	3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol
InChI Key	BOWIFWCBNWWZOG-UHFFFAOYSA-N
Molecular Formula	C5H6OS

2,3-Diphenylpyrazine, 98%

CAS: 1588-89-2 Molecular Formula: C16H12N2 Molecular Weight (g/mol): 232.286 MDL Number: MFCD00053000 InChI Key: PTZIVVDMBCVSMR-UHFFFAOYSA-N Synonym: 2,3-diphenyl-pyrazine,chembl48222,bis-phenyl pyrazine,maybridge1_007492,acmc-1bu2l PubChem CID: 243907 IUPAC Name: 2,3-diphenylpyrazine SMILES: C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3

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Specifications

PubChem CID	243907
CAS	1588-89-2
Molecular Weight (g/mol)	232.286
MDL Number	MFCD00053000
SMILES	C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3
Synonym	2,3-diphenyl-pyrazine,chembl48222,bis-phenyl pyrazine,maybridge1_007492,acmc-1bu2l
IUPAC Name	2,3-diphenylpyrazine
InChI Key	PTZIVVDMBCVSMR-UHFFFAOYSA-N
Molecular Formula	C16H12N2

2-(2-Naphthyl)indole, 98%

CAS: 23746-81-8 Molecular Formula: C18H13N Molecular Weight (g/mol): 243.31 MDL Number: MFCD00124144 InChI Key: CACDYUNTCMPDMI-UHFFFAOYSA-N Synonym: 2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole PubChem CID: 265232 SMILES: N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	265232
CAS	23746-81-8
Molecular Weight (g/mol)	243.31
MDL Number	MFCD00124144
SMILES	N1C2=CC=CC=C2C=C1C1=CC=C2C=CC=CC2=C1
Synonym	2-2-naphthyl indole,2-2-naphthyl-1h-indole,2-naphthalen-2-yl-1h-indole,acmc-1chvp,2-2-naphthyl-indol,maybridge1_005904,2-2-indolyl naphthalene,2-1h-indol-2-yl naphthalene,2-2-naphthalenyl-1h-indole
InChI Key	CACDYUNTCMPDMI-UHFFFAOYSA-N
Molecular Formula	C18H13N

4-Pyridineacetonitrile, ≥97%, Thermo Scientific Chemicals

CAS: 13121-99-8 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD03412601 InChI Key: BMVSAKPRNWZCPG-UHFFFAOYSA-N Synonym: pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine PubChem CID: 4112085 IUPAC Name: 2-pyridin-4-ylacetonitrile SMILES: N#CCC1=CC=NC=C1

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PubChem CID	4112085
CAS	13121-99-8
Molecular Weight (g/mol)	118.14
MDL Number	MFCD03412601
SMILES	N#CCC1=CC=NC=C1
Synonym	pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine
IUPAC Name	2-pyridin-4-ylacetonitrile
InChI Key	BMVSAKPRNWZCPG-UHFFFAOYSA-N
Molecular Formula	C7H6N2

2,3-Dimethylquinoxaline, 97%

CAS: 2379-55-7 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C

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PubChem CID	16925
CAS	2379-55-7
MDL Number	MFCD00006728
SMILES	CC1=NC2=CC=CC=C2N=C1C
IUPAC Name	2,3-dimethylquinoxaline
InChI Key	FKHNZQFCDGOQGV-UHFFFAOYSA-N

2-Mercaptobenzothiazole, 97%

CAS: 149-30-4 Molecular Formula: C₇H₅NS₂ Molecular Weight (g/mol): 167.24 MDL Number: MFCD00005781 InChI Key: YXIWHUQXZSMYRE-UHFFFAOYSA-N Synonym: 2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax PubChem CID: 697993 ChEBI: CHEBI:34292 IUPAC Name: 3H-1,3-benzothiazole-2-thione SMILES: C1=CC=C2C(=C1)NC(=S)S2

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Specifications

PubChem CID	697993
CAS	149-30-4
Molecular Weight (g/mol)	167.24
ChEBI	CHEBI:34292
MDL Number	MFCD00005781
SMILES	C1=CC=C2C(=C1)NC(=S)S2
Synonym	2-mercaptobenzothiazole,2-benzothiazolethiol,captax,benzothiazolethiol,2 3h-benzothiazolethione,benzothiazole-2-thiol,1,3-benzothiazole-2-thiol,benzo d thiazole-2-thiol,rokon,rotax
IUPAC Name	3H-1,3-benzothiazole-2-thione
InChI Key	YXIWHUQXZSMYRE-UHFFFAOYSA-N
Molecular Formula	C₇H₅NS₂

Heteroaromatic compounds

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