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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

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

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
2

3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile, 95%, Thermo Scientific™

CAS: 207909-05-5 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.214 MDL Number: MFCD09065009 InChI Key: FLALRGXSUSNEAF-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl benzonitrile,3-1-methylpyrazol-3-yl benzonitrile,benzonitrile, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl benzenecarbonitrile PubChem CID: 10655058 IUPAC Name: 3-(1-methylpyrazol-3-yl)benzonitrile SMILES: CN1C=CC(=N1)C2=CC=CC(=C2)C#N

PubChem CID 10655058
CAS 207909-05-5
Molecular Weight (g/mol) 183.214
MDL Number MFCD09065009
SMILES CN1C=CC(=N1)C2=CC=CC(=C2)C#N
Synonym 3-1-methyl-1h-pyrazol-3-yl benzonitrile,3-1-methylpyrazol-3-yl benzonitrile,benzonitrile, 3-1-methyl-1h-pyrazol-3-yl,3-1-methylpyrazol-3-yl benzenecarbonitrile
IUPAC Name 3-(1-methylpyrazol-3-yl)benzonitrile
InChI Key FLALRGXSUSNEAF-UHFFFAOYSA-N
Molecular Formula C11H9N3
3

4-(thien-2-ylmethyl)aniline, Thermo Scientific™

CAS: 129136-65-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 InChI Key: PIJZLXNJWCKMSA-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl aniline,4-thiophen-2-ylmethyl aniline,4-thiophen-2-yl methyl aniline,4-2-thienylmethyl phenylamine PubChem CID: 20063869 IUPAC Name: 4-(thiophen-2-ylmethyl)aniline SMILES: C1=CSC(=C1)CC2=CC=C(C=C2)N

PubChem CID 20063869
CAS 129136-65-8
Molecular Weight (g/mol) 189.276
SMILES C1=CSC(=C1)CC2=CC=C(C=C2)N
Synonym 4-thien-2-ylmethyl aniline,4-thiophen-2-ylmethyl aniline,4-thiophen-2-yl methyl aniline,4-2-thienylmethyl phenylamine
IUPAC Name 4-(thiophen-2-ylmethyl)aniline
InChI Key PIJZLXNJWCKMSA-UHFFFAOYSA-N
Molecular Formula C11H11NS
4

4-Pyrimidin-2-ylbenzonitrile, 95%, Thermo Scientific™

CAS: 78322-96-0 Molecular Formula: C11H7N3 Molecular Weight (g/mol): 181.198 MDL Number: MFCD09817491 InChI Key: WGCKVXHOTDDNOA-UHFFFAOYSA-N Synonym: 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile PubChem CID: 15486310 IUPAC Name: 4-pyrimidin-2-ylbenzonitrile SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)C#N

PubChem CID 15486310
CAS 78322-96-0
Molecular Weight (g/mol) 181.198
MDL Number MFCD09817491
SMILES C1=CN=C(N=C1)C2=CC=C(C=C2)C#N
Synonym 4-pyrimidin-2-yl benzonitrile,4-cyanophenyl pyrimidine,2-4-cyanophenyl pyrimidine,4-pyrimidin-2-yl-benzonitrile,4-2-pyrimidinyl benzonitrile,benzonitrile, 4-2-pyrimidinyl,4-pyrimidin-2-ylbenzenecarbonitrile
IUPAC Name 4-pyrimidin-2-ylbenzonitrile
InChI Key WGCKVXHOTDDNOA-UHFFFAOYSA-N
Molecular Formula C11H7N3
5

4-Cyanoimidazole, 95%

CAS: 57090-88-7 Molecular Formula: C4H3N3 Molecular Weight (g/mol): 93.09 MDL Number: MFCD00233358 InChI Key: NWVGXXPWOYZODV-UHFFFAOYSA-N Synonym: 1h-imidazole-4-carbonitrile,4-cyanoimidazole,4-cyano-1h-imidazole,3h-imidazole-4-carbonitrile,imidazole-4-carbonitrile,pubchem18770,acmc-209lvz,5-imidazole carbonitrile,1h-imidazol-4-kohlenitrile,ksc269a8n PubChem CID: 564457 IUPAC Name: 1H-imidazole-5-carbonitrile SMILES: N#CC1=CN=CN1

PubChem CID 564457
CAS 57090-88-7
Molecular Weight (g/mol) 93.09
MDL Number MFCD00233358
SMILES N#CC1=CN=CN1
Synonym 1h-imidazole-4-carbonitrile,4-cyanoimidazole,4-cyano-1h-imidazole,3h-imidazole-4-carbonitrile,imidazole-4-carbonitrile,pubchem18770,acmc-209lvz,5-imidazole carbonitrile,1h-imidazol-4-kohlenitrile,ksc269a8n
IUPAC Name 1H-imidazole-5-carbonitrile
InChI Key NWVGXXPWOYZODV-UHFFFAOYSA-N
Molecular Formula C4H3N3
6

Nitron, 95%, Thermo Scientific Chemicals

CAS: 2218-94-2 Molecular Formula: C20H16N4 Molecular Weight (g/mol): 312.376 MDL Number: MFCD00005174 InChI Key: CWGBFIRHYJNILV-UHFFFAOYSA-N Synonym: nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt PubChem CID: 720071 IUPAC Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide SMILES: C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

PubChem CID 720071
CAS 2218-94-2
Molecular Weight (g/mol) 312.376
MDL Number MFCD00005174
SMILES C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4
Synonym nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt
IUPAC Name (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide
InChI Key CWGBFIRHYJNILV-UHFFFAOYSA-N
Molecular Formula C20H16N4
7

2-(2-Thienyl)ethyl isocyanate, 95+%, Thermo Scientific™

CAS: 58749-51-2 Molecular Formula: C7H7NOS Molecular Weight (g/mol): 153.199 InChI Key: KAJZMNLREUEZSH-UHFFFAOYSA-N PubChem CID: 2782179 IUPAC Name: 2-(2-isocyanatoethyl)thiophene SMILES: C1=CSC(=C1)CCN=C=O

PubChem CID 2782179
CAS 58749-51-2
Molecular Weight (g/mol) 153.199
SMILES C1=CSC(=C1)CCN=C=O
IUPAC Name 2-(2-isocyanatoethyl)thiophene
InChI Key KAJZMNLREUEZSH-UHFFFAOYSA-N
Molecular Formula C7H7NOS
8

3-Amino-4-phenyl-1H-pyrazole, 95%

CAS: 5591-70-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD01693715 InChI Key: QEHKQNYBBLCFIJ-UHFFFAOYSA-N Synonym: 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl PubChem CID: 79703 IUPAC Name: 4-phenyl-1H-pyrazol-5-amine SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N

PubChem CID 79703
CAS 5591-70-8
Molecular Weight (g/mol) 159.192
MDL Number MFCD01693715
SMILES C1=CC=C(C=C1)C2=C(NN=C2)N
Synonym 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl
IUPAC Name 4-phenyl-1H-pyrazol-5-amine
InChI Key QEHKQNYBBLCFIJ-UHFFFAOYSA-N
Molecular Formula C9H9N3
9

2-Methyl-1,3-benzothiazol-5-amine, 95%

CAS: 13382-43-9 Molecular Formula: C8H8N2S Molecular Weight (g/mol): 164.23 MDL Number: MFCD00226291 InChI Key: GPWQHYMVUZYWIK-UHFFFAOYSA-N Synonym: 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine PubChem CID: 36229 IUPAC Name: 2-methyl-1,3-benzothiazol-5-amine SMILES: CC1=NC2=CC(N)=CC=C2S1

PubChem CID 36229
CAS 13382-43-9
Molecular Weight (g/mol) 164.23
MDL Number MFCD00226291
SMILES CC1=NC2=CC(N)=CC=C2S1
Synonym 2-methylbenzo d thiazol-5-amine,5-amino-2-methylbenzothiazole,5-benzothiazolamine, 2-methyl,2-methyl-5-benzothiazolamine,2-methyl-5-aminobenzothiazole,2-methylbenzothiazole-5-ylamine,2-methyl-1,3-benzothiazol-5-ylamine,acmc-209v5w,cambridge id 5107842,2-methylbenzothiazol-5-amine
IUPAC Name 2-methyl-1,3-benzothiazol-5-amine
InChI Key GPWQHYMVUZYWIK-UHFFFAOYSA-N
Molecular Formula C8H8N2S
10

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

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
11

2-Mercaptobenzothiazole, 95%

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

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
12

2-Phenylthiophene, 95%

CAS: 825-55-8 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00130080 InChI Key: PJRGDKFLFAYRBV-UHFFFAOYSA-N Synonym: thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe PubChem CID: 69999 IUPAC Name: 2-phenylthiophene SMILES: C1=CC=C(C=C1)C2=CC=CS2

PubChem CID 69999
CAS 825-55-8
Molecular Weight (g/mol) 160.234
MDL Number MFCD00130080
SMILES C1=CC=C(C=C1)C2=CC=CS2
Synonym thiophene, 2-phenyl,2-phenyl-thiophene,phenylthiophene,thiophene, phenyl,2-thienylbenzene,2-phenyithiophene,2-phenylthiofuran,2-phenylthiophene,acmc-209ppe
IUPAC Name 2-phenylthiophene
InChI Key PJRGDKFLFAYRBV-UHFFFAOYSA-N
Molecular Formula C10H8S
13

Europium(III) thenoyltrifluoroacetonate, trihydrate, 95%

CAS: 21392-96-1 Molecular Formula: C24H12EuF9O6S3·3H2O Molecular Weight (g/mol): 869.54 MDL Number: MFCD00150912 InChI Key: LSMLVRQTTAIDBZ-BSWAEIBTSA-N Synonym: tris 4,4,4-trifluoro-1-2-thienyl-1,3-butanediono europium iii hydrate PubChem CID: 91873327 IUPAC Name: erbium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one;hydrate SMILES: C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.O.[Er]

PubChem CID 91873327
CAS 21392-96-1
Molecular Weight (g/mol) 869.54
MDL Number MFCD00150912
SMILES C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.C1=CSC(=C1)C(=CC(=O)C(F)(F)F)O.O.[Er]
Synonym tris 4,4,4-trifluoro-1-2-thienyl-1,3-butanediono europium iii hydrate
IUPAC Name erbium;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one;hydrate
InChI Key LSMLVRQTTAIDBZ-BSWAEIBTSA-N
Molecular Formula C24H12EuF9O6S3·3H2O
14

4,6-Dimethyldibenzothiophene, 95%

CAS: 1207-12-1 Molecular Formula: C14H12S Molecular Weight (g/mol): 212.31 MDL Number: MFCD00216264 InChI Key: KMPJENUWHPZRGZ-UHFFFAOYSA-N Synonym: dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene PubChem CID: 1268103 IUPAC Name: 4,6-dimethyldibenzothiophene SMILES: CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1

PubChem CID 1268103
CAS 1207-12-1
Molecular Weight (g/mol) 212.31
MDL Number MFCD00216264
SMILES CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1
Synonym dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene
IUPAC Name 4,6-dimethyldibenzothiophene
InChI Key KMPJENUWHPZRGZ-UHFFFAOYSA-N
Molecular Formula C14H12S
15

4-Vinylpyridine, 95%, stabilized

CAS: 100-43-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006447 InChI Key: KFDVPJUYSDEJTH-UHFFFAOYSA-N Synonym: 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine PubChem CID: 7502 IUPAC Name: 4-ethenylpyridine SMILES: C=CC1=CC=NC=C1

PubChem CID 7502
CAS 100-43-6
Molecular Weight (g/mol) 105.14
MDL Number MFCD00006447
SMILES C=CC1=CC=NC=C1
Synonym 4-vinylpyridine,pyridine, 4-ethenyl,pyridine, 4-vinyl,gamma-vinylpyridine,unii-i56g67xm8d,ccris 5240,4vp,4-pyridylethylene,4-vinyl-pyridine,4-vinyl pyridine
IUPAC Name 4-ethenylpyridine
InChI Key KFDVPJUYSDEJTH-UHFFFAOYSA-N
Molecular Formula C7H7N