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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1-Benzylpyrrole, 96%

CAS: 2051-97-0 Molecular Formula: C11H11N Molecular Weight (g/mol): 157.22 MDL Number: MFCD00963301 InChI Key: FNEQHKCQXDKYEO-UHFFFAOYSA-N Synonym: n-benzylpyrrole,1h-pyrrole, 1-phenylmethyl,1-benzyl-1h-pyrrole,pyrrole, 1-benzyl,1-benzylpyrrol,acmc-209fbl,1-phenylmethyl pyrrole,1-benzyl-1h-pyrrole #,pyrrole, 1-benzyl-8ci PubChem CID: 74922 SMILES: C(N1C=CC=C1)C1=CC=CC=C1

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PubChem CID	74922
CAS	2051-97-0
Molecular Weight (g/mol)	157.22
MDL Number	MFCD00963301
SMILES	C(N1C=CC=C1)C1=CC=CC=C1
Synonym	n-benzylpyrrole,1h-pyrrole, 1-phenylmethyl,1-benzyl-1h-pyrrole,pyrrole, 1-benzyl,1-benzylpyrrol,acmc-209fbl,1-phenylmethyl pyrrole,1-benzyl-1h-pyrrole #,pyrrole, 1-benzyl-8ci
InChI Key	FNEQHKCQXDKYEO-UHFFFAOYSA-N
Molecular Formula	C11H11N

1-Methylpyrrole, 99%

CAS: 96-54-8 Molecular Formula: C5H7N Molecular Weight (g/mol): 81.118 MDL Number: MFCD00005345 InChI Key: OXHNLMTVIGZXSG-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934 PubChem CID: 7304 IUPAC Name: 1-methylpyrrole SMILES: CN1C=CC=C1

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PubChem CID	7304
CAS	96-54-8
Molecular Weight (g/mol)	81.118
MDL Number	MFCD00005345
SMILES	CN1C=CC=C1
Synonym	1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934
IUPAC Name	1-methylpyrrole
InChI Key	OXHNLMTVIGZXSG-UHFFFAOYSA-N
Molecular Formula	C5H7N

Isoquinoline-1-carbonitrile, 99%

CAS: 1198-30-7 Molecular Formula: C10H6N2 Molecular Weight (g/mol): 154.172 MDL Number: MFCD00134166 InChI Key: HJHXYSBRTVFEDD-UHFFFAOYSA-N Synonym: 1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487 PubChem CID: 306057 IUPAC Name: isoquinoline-1-carbonitrile SMILES: C1=CC=C2C(=C1)C=CN=C2C#N

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PubChem CID	306057
CAS	1198-30-7
Molecular Weight (g/mol)	154.172
MDL Number	MFCD00134166
SMILES	C1=CC=C2C(=C1)C=CN=C2C#N
Synonym	1-cyanoisoquinoline,1-isoquinolinecarbonitrile,isoquinaldonitrile,isoquinolinecarbonitrile,1-cyano-isoquinoline,isoquinaldinic nitrile,pubchem6269,maybridge1_002114,timtec-bb sbb002487
IUPAC Name	isoquinoline-1-carbonitrile
InChI Key	HJHXYSBRTVFEDD-UHFFFAOYSA-N
Molecular Formula	C10H6N2

5-Mercapto-1-methyltetrazole, 98%

CAS: 13183-79-4 Molecular Formula: C2H4N4S Molecular Weight (g/mol): 116.14 MDL Number: MFCD00037317 InChI Key: XOHZHMUQBFJTNH-UHFFFAOYSA-N Synonym: 5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl PubChem CID: 2723772 IUPAC Name: 1-methyl-2H-tetrazole-5-thione SMILES: CN1NN=NC1=S

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PubChem CID	2723772
CAS	13183-79-4
Molecular Weight (g/mol)	116.14
MDL Number	MFCD00037317
SMILES	CN1NN=NC1=S
Synonym	5-mercapto-1-methyltetrazole,1-methyl-5-mercaptotetrazole,1-methyl-1h-tetrazole-5-thiol,1-n-methyl-5-thiotetrazole,1-methyltetrazole-5-thiol,n-methyltetrazolethiol,1-methyl-5-tetrazolethione,1-methyl-5-mercapto-1h-tetrazole,1-methyl-5-mercapto-1,2,3,4-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-methyl
IUPAC Name	1-methyl-2H-tetrazole-5-thione
InChI Key	XOHZHMUQBFJTNH-UHFFFAOYSA-N
Molecular Formula	C2H4N4S

1-Phenyl-1H-pyrazole, 98%

CAS: 1126-00-7 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00003112 InChI Key: WITMXBRCQWOZPX-UHFFFAOYSA-N Synonym: 1-phenyl-1h-pyrazole,n-phenylpyrazole,1h-pyrazole, 1-phenyl,pyrazole, 1-phenyl,1-phenylpyrazol,n-phenyl pyrazole,1-phenyl pyrazole,1-phenyl-pyrazole,1-phenyl-1h-pyrazol,l-phenyl-1h-pyrazole PubChem CID: 70769 ChEBI: CHEBI:38879 IUPAC Name: 1-phenylpyrazole SMILES: C1=CN(N=C1)C1=CC=CC=C1

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PubChem CID	70769
CAS	1126-00-7
Molecular Weight (g/mol)	144.18
ChEBI	CHEBI:38879
MDL Number	MFCD00003112
SMILES	C1=CN(N=C1)C1=CC=CC=C1
Synonym	1-phenyl-1h-pyrazole,n-phenylpyrazole,1h-pyrazole, 1-phenyl,pyrazole, 1-phenyl,1-phenylpyrazol,n-phenyl pyrazole,1-phenyl pyrazole,1-phenyl-pyrazole,1-phenyl-1h-pyrazol,l-phenyl-1h-pyrazole
IUPAC Name	1-phenylpyrazole
InChI Key	WITMXBRCQWOZPX-UHFFFAOYSA-N
Molecular Formula	C9H8N2

1-Phenyl-1H-tetrazole-5-thiol, 99%

CAS: 86-93-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00003129 InChI Key: GGZHVNZHFYCSEV-UHFFFAOYSA-N Synonym: 1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol PubChem CID: 690730 ChEBI: CHEBI:79916 SMILES: S=C1N=NNN1C1=CC=CC=C1

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PubChem CID	690730
CAS	86-93-1
Molecular Weight (g/mol)	178.21
ChEBI	CHEBI:79916
MDL Number	MFCD00003129
SMILES	S=C1N=NNN1C1=CC=CC=C1
Synonym	1-phenyl-1h-tetrazole-5-thiol,1-phenyltetrazole-5-thiol,1-phenyl-5-mercaptotetrazole,5-mercapto-1-phenyltetrazole,1-phenyltetrazoline-5-thione,mercaptophenyltetrazole,phenylmercaptotetrazole,1-phenyl-5-tetrazolethione,5-mercapto-1-phenyltetrazol,1-phenyltetrazole-thiol
InChI Key	GGZHVNZHFYCSEV-UHFFFAOYSA-N
Molecular Formula	C7H6N4S

3-(1H-Tetrazol-1-yl)aniline, 97%

CAS: 14213-12-8 Molecular Formula: C7H7N5 Molecular Weight (g/mol): 161.168 MDL Number: MFCD06687920 InChI Key: YXWXLBHIUVBLIH-UHFFFAOYSA-N Synonym: 3-1h-tetrazol-1-yl aniline,3-tetrazol-1-yl-phenylamine,3-1h-tetrazol-1-yl benzenamine,3-1,2,3,4-tetrazol-1-yl aniline,3-1h-1,2,3,4-tetrazol-1-yl aniline,3-tetrazol-1-yl phenylamine,3-1,2,3,4-tetraazolyl phenylamine,acmc-209cnn,3-tetrazol-1-yl aniline,3-tetrazol-1-ylphenylamine PubChem CID: 863007 IUPAC Name: 3-(tetrazol-1-yl)aniline SMILES: C1=CC(=CC(=C1)N)N2C=NN=N2

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PubChem CID	863007
CAS	14213-12-8
Molecular Weight (g/mol)	161.168
MDL Number	MFCD06687920
SMILES	C1=CC(=CC(=C1)N)N2C=NN=N2
Synonym	3-1h-tetrazol-1-yl aniline,3-tetrazol-1-yl-phenylamine,3-1h-tetrazol-1-yl benzenamine,3-1,2,3,4-tetrazol-1-yl aniline,3-1h-1,2,3,4-tetrazol-1-yl aniline,3-tetrazol-1-yl phenylamine,3-1,2,3,4-tetraazolyl phenylamine,acmc-209cnn,3-tetrazol-1-yl aniline,3-tetrazol-1-ylphenylamine
IUPAC Name	3-(tetrazol-1-yl)aniline
InChI Key	YXWXLBHIUVBLIH-UHFFFAOYSA-N
Molecular Formula	C7H7N5

5-Amino-3-methyl-1-phenylpyrazole, 97%

CAS: 1131-18-6 Molecular Formula: C₁₀H₁₁N₃ Molecular Weight (g/mol): 173.21 InChI Key: FMKMKBLHMONXJM-UHFFFAOYSA-N Synonym: 3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl PubChem CID: 70801 IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine SMILES: CC1=NN(C(=C1)N)C2=CC=CC=C2

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PubChem CID	70801
CAS	1131-18-6
Molecular Weight (g/mol)	173.21
SMILES	CC1=NN(C(=C1)N)C2=CC=CC=C2
Synonym	3-methyl-1-phenyl-1h-pyrazol-5-amine,5-amino-3-methyl-1-phenylpyrazole,1h-pyrazol-5-amine, 3-methyl-1-phenyl,1-phenyl-3-methyl-5-aminopyrazole,3-methyl-1-phenylpyrazol-5-ylamine,5-methyl-2-phenyl-2h-pyrazol-3-ylamine,1-phenyl-3-methyl-5-amino pyrazole,unii-x6087geb2p,pyrazole, 5-amino-3-methyl-1-phenyl,1h-pyrazole-5-amine, 3-methyl-1-phenyl
IUPAC Name	5-methyl-2-phenylpyrazol-3-amine
InChI Key	FMKMKBLHMONXJM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₁N₃

1-Octadecylpyrrole 95.0+%, TCI America™

CAS: 89601-24-1 Molecular Formula: C22H41N Molecular Weight (g/mol): 319.577 MDL Number: MFCD00144990 InChI Key: BMSMIJNAHWEOBQ-UHFFFAOYSA-N PubChem CID: 19013669 IUPAC Name: 1-octadecylpyrrole SMILES: CCCCCCCCCCCCCCCCCCN1C=CC=C1

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PubChem CID	19013669
CAS	89601-24-1
Molecular Weight (g/mol)	319.577
MDL Number	MFCD00144990
SMILES	CCCCCCCCCCCCCCCCCCN1C=CC=C1
IUPAC Name	1-octadecylpyrrole
InChI Key	BMSMIJNAHWEOBQ-UHFFFAOYSA-N
Molecular Formula	C22H41N

1-Aminopyrrole 98.0+%, TCI America™

CAS: 765-39-9 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00059931 InChI Key: YNZAFFFENDLJQG-UHFFFAOYSA-N PubChem CID: 136589 IUPAC Name: pyrrol-1-amine SMILES: C1=CN(C=C1)N

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PubChem CID	136589
CAS	765-39-9
Molecular Weight (g/mol)	82.106
MDL Number	MFCD00059931
SMILES	C1=CN(C=C1)N
IUPAC Name	pyrrol-1-amine
InChI Key	YNZAFFFENDLJQG-UHFFFAOYSA-N
Molecular Formula	C4H6N2

PubChem CID	7304
CAS	96-54-8
Molecular Weight (g/mol)	81.118
MDL Number	MFCD00005345
SMILES	CN1C=CC=C1
Synonym	1-methyl-1h-pyrrole,n-methylpyrrole,n-methyl pyrrole,1h-pyrrole, 1-methyl,pyrrole, 1-methyl,methylpyrrole,n-methylpyrrol,1-methylpyrrol,unii-ng5gpn98zg,ccris 2934
IUPAC Name	1-methylpyrrole
InChI Key	OXHNLMTVIGZXSG-UHFFFAOYSA-N
Molecular Formula	C5H7N

1-Ethylpyrrole 98.0+%, TCI America™

CAS: 617-92-5 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.15 MDL Number: MFCD00060633 InChI Key: VPUAYOJTHRDUTK-UHFFFAOYSA-N PubChem CID: 185226 IUPAC Name: 1-ethyl-1H-pyrrole SMILES: CCN1C=CC=C1

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PubChem CID	185226
CAS	617-92-5
Molecular Weight (g/mol)	95.15
MDL Number	MFCD00060633
SMILES	CCN1C=CC=C1
IUPAC Name	1-ethyl-1H-pyrrole
InChI Key	VPUAYOJTHRDUTK-UHFFFAOYSA-N
Molecular Formula	C6H9N

1-Phenylpyrazole 98.0+%, TCI America™

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PubChem CID	70769
CAS	1126-00-7
Molecular Weight (g/mol)	144.18
ChEBI	CHEBI:38879
MDL Number	MFCD00003112
SMILES	C1=CN(N=C1)C1=CC=CC=C1
Synonym	1-phenyl-1h-pyrazole,n-phenylpyrazole,1h-pyrazole, 1-phenyl,pyrazole, 1-phenyl,1-phenylpyrazol,n-phenyl pyrazole,1-phenyl pyrazole,1-phenyl-pyrazole,1-phenyl-1h-pyrazol,l-phenyl-1h-pyrazole
IUPAC Name	1-phenyl-1H-pyrazole
InChI Key	WITMXBRCQWOZPX-UHFFFAOYSA-N
Molecular Formula	C9H8N2

1-Benzothiophen-5-amine, 97%, Thermo Scientific™

CAS: 20532-28-9 Molecular Formula: C8H7NS Molecular Weight (g/mol): 149.211 InChI Key: ZUPYTANKWDPRDP-UHFFFAOYSA-N Synonym: benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine PubChem CID: 288032 IUPAC Name: 1-benzothiophen-5-amine SMILES: C1=CC2=C(C=CS2)C=C1N

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PubChem CID	288032
CAS	20532-28-9
Molecular Weight (g/mol)	149.211
SMILES	C1=CC2=C(C=CS2)C=C1N
Synonym	benzo b thiophen-5-amine,5-aminobenzothiophene,5-aminobenzo b thiophene,benzo b thiophen-5-ylamine,5-aminothionaphthene,benzothiophen-5-amine,1-benzothien-5-ylamine,5-amino-benzo b thiophene,benzo b thiophene-5-ylamine
IUPAC Name	1-benzothiophen-5-amine
InChI Key	ZUPYTANKWDPRDP-UHFFFAOYSA-N
Molecular Formula	C8H7NS

1-Benzothiophene-5-carbonitrile, ≥95%, Thermo Scientific™

CAS: 2060-63-1 Molecular Formula: C9H5NS Molecular Weight (g/mol): 159.21 MDL Number: MFCD05664404 InChI Key: IPJUOWGTGHKFKN-UHFFFAOYSA-N Synonym: benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile PubChem CID: 2795452 IUPAC Name: 1-benzothiophene-5-carbonitrile SMILES: N#CC1=CC=C2SC=CC2=C1

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PubChem CID	2795452
CAS	2060-63-1
Molecular Weight (g/mol)	159.21
MDL Number	MFCD05664404
SMILES	N#CC1=CC=C2SC=CC2=C1
Synonym	benzo b thiophene-5-carbonitrile,5-cyanobenzothiophene,pubchem9722,5-thionaphthenecarbonitrile,benzo thiophene-5-carbonitrile,benzo,a thiophene-5-carbonitrile,benzothiophene-5-carbonitrile,1-benzo b thiophene-5-carbonitrile
IUPAC Name	1-benzothiophene-5-carbonitrile
InChI Key	IPJUOWGTGHKFKN-UHFFFAOYSA-N
Molecular Formula	C9H5NS

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