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

Indole-5-carbonitrile, 98+%

CAS: 15861-24-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.161 MDL Number: MFCD00005669 InChI Key: YHYLDEVWYOFIJK-UHFFFAOYSA-N Synonym: 5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326 PubChem CID: 27513 IUPAC Name: 1H-indole-5-carbonitrile SMILES: C1=CC2=C(C=CN2)C=C1C#N

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PubChem CID	27513
CAS	15861-24-2
Molecular Weight (g/mol)	142.161
MDL Number	MFCD00005669
SMILES	C1=CC2=C(C=CN2)C=C1C#N
Synonym	5-cyanoindole,indole-5-carbonitrile,5-cyano indole,5-cyano-1h-indole,indole-5-cyano,5-indolecarbonitrile,5-cyano-indole,indol-5-carbonitrile,indole, 5-cyano,pubchem7326
IUPAC Name	1H-indole-5-carbonitrile
InChI Key	YHYLDEVWYOFIJK-UHFFFAOYSA-N
Molecular Formula	C9H6N2

2-Furaldehyde 2,2-dimethylhydrazone, 98%

CAS: 14064-21-2 Molecular Formula: C7H10N2O Molecular Weight (g/mol): 138.17 MDL Number: MFCD00010685,MFCD00010685 InChI Key: DURWBNUASAZMSN-SOFGYWHQSA-N Synonym: e-2-furan-2-ylmethylidene-1,1-dimethylhydrazine,furfural dimethyl hydrazone PubChem CID: 5372420 SMILES: CN(C)\N=C\C1=CC=CO1

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PubChem CID	5372420
CAS	14064-21-2
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00010685,MFCD00010685
SMILES	CN(C)\N=C\C1=CC=CO1
Synonym	e-2-furan-2-ylmethylidene-1,1-dimethylhydrazine,furfural dimethyl hydrazone
InChI Key	DURWBNUASAZMSN-SOFGYWHQSA-N
Molecular Formula	C7H10N2O

3-Methyl-5-phenyl-1H-pyrazole, Thermo Scientific Chemicals

CAS: 3347-62-4 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00022385,MFCD00524752 InChI Key: QHRSESMSOJZMCO-UHFFFAOYSA-N PubChem CID: 18774 IUPAC Name: 5-methyl-3-phenyl-1H-pyrazole SMILES: CC1=CC(=NN1)C1=CC=CC=C1

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PubChem CID	18774
CAS	3347-62-4
Molecular Weight (g/mol)	158.20
MDL Number	MFCD00022385,MFCD00524752
SMILES	CC1=CC(=NN1)C1=CC=CC=C1
IUPAC Name	5-methyl-3-phenyl-1H-pyrazole
InChI Key	QHRSESMSOJZMCO-UHFFFAOYSA-N
Molecular Formula	C10H10N2

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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Specifications

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

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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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

5,6,7,8-Tetrahydroquinoxaline, 99%

CAS: 34413-35-9 Molecular Formula: C8H10N2 Molecular Weight (g/mol): 134.182 MDL Number: MFCD00038078 InChI Key: XCZPDOCRSYZOBI-UHFFFAOYSA-N Synonym: cyclohexapyrazine,quinoxaline, 5,6,7,8-tetrahydro,unii-m153cj9ra0,fema no. 3321,5.6.7.8-tetrahydroquinoxaline,nutty quinoxaline,pubchem15475,acmc-209i7e,dsstox_cid_27678,dsstox_rid_82495 PubChem CID: 36822 IUPAC Name: 5,6,7,8-tetrahydroquinoxaline SMILES: C1CCC2=NC=CN=C2C1

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PubChem CID	36822
CAS	34413-35-9
Molecular Weight (g/mol)	134.182
MDL Number	MFCD00038078
SMILES	C1CCC2=NC=CN=C2C1
Synonym	cyclohexapyrazine,quinoxaline, 5,6,7,8-tetrahydro,unii-m153cj9ra0,fema no. 3321,5.6.7.8-tetrahydroquinoxaline,nutty quinoxaline,pubchem15475,acmc-209i7e,dsstox_cid_27678,dsstox_rid_82495
IUPAC Name	5,6,7,8-tetrahydroquinoxaline
InChI Key	XCZPDOCRSYZOBI-UHFFFAOYSA-N
Molecular Formula	C8H10N2

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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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

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

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-Methyl-3-(2-furyl)propenal, 97%

CAS: 874-66-8 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00063240 InChI Key: ZNBXZUKDRRRQJK-FNORWQNLSA-N Synonym: 2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein PubChem CID: 6210220 IUPAC Name: (E)-3-(furan-2-yl)-2-methylprop-2-enal SMILES: CC(=CC1=CC=CO1)C=O

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PubChem CID	6210220
CAS	874-66-8
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00063240
SMILES	CC(=CC1=CC=CO1)C=O
Synonym	2-methyl-3-2-furyl propenal,alpha-methylfurylacrolein,2-methyl-3-2-furyl acrolein,furfurylidene-2-propanal,furfurylidine-2-propanal,2-methyl-3-furylacrolein,alpha-methyl-2-furanacrolein,2-furfurylidenepropionaldehyde,3-2-furyl methacrylaldehyde,2-methyl-3 2-furyl acrolein
IUPAC Name	(E)-3-(furan-2-yl)-2-methylprop-2-enal
InChI Key	ZNBXZUKDRRRQJK-FNORWQNLSA-N
Molecular Formula	C8H8O2

Furan, 99%, stab. with ca 250ppm BHT

CAS: 110-00-9 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00003222 InChI Key: YLQBMQCUIZJEEH-UHFFFAOYSA-N Synonym: divinylene oxide,furfuran,tetrole,oxole,oxacyclopentadiene,furane,1,4-epoxy-1,3-butadiene,axole,rcra waste number u124,furfurane PubChem CID: 8029 ChEBI: CHEBI:35559 IUPAC Name: furan SMILES: O1C=CC=C1

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Specifications

PubChem CID	8029
CAS	110-00-9
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:35559
MDL Number	MFCD00003222
SMILES	O1C=CC=C1
Synonym	divinylene oxide,furfuran,tetrole,oxole,oxacyclopentadiene,furane,1,4-epoxy-1,3-butadiene,axole,rcra waste number u124,furfurane
IUPAC Name	furan
InChI Key	YLQBMQCUIZJEEH-UHFFFAOYSA-N
Molecular Formula	C4H4O

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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Specifications

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

Heteroaromatic compounds

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