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

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-(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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Specifications

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

2-n-Hexylfuran, 97%

CAS: 3777-70-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00053134 InChI Key: XBLCAKKYMZVLPU-UHFFFAOYSA-N Synonym: 2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja PubChem CID: 77408 IUPAC Name: 2-hexylfuran SMILES: CCCCCCC1=CC=CO1

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Specifications

PubChem CID	77408
CAS	3777-70-6
Molecular Weight (g/mol)	152.237
MDL Number	MFCD00053134
SMILES	CCCCCCC1=CC=CO1
Synonym	2-n-hexylfuran,furan, 2-hexyl,2-hexyl-furan,acmc-1clja
IUPAC Name	2-hexylfuran
InChI Key	XBLCAKKYMZVLPU-UHFFFAOYSA-N
Molecular Formula	C10H16O

Diethyl pyrazole-3,5-dicarboxylate, 99%, Thermo Scientific Chemicals

CAS: 37687-24-4 Molecular Formula: C9H12N2O4 Molecular Weight (g/mol): 212.21 MDL Number: MFCD00152167 InChI Key: MBWXLICVQZUJOW-UHFFFAOYSA-N Synonym: diethyl 3,5-pyrazoledicarboxylate,diethyl pyrazole-3,5-dicarboxylate,3,5-diethoxycarbonylpyrazole,1h-pyrazole-3,5-dicarboxylic acid diethyl ester,3,5-pyrazoledicarboxylic acid diethyl ester,3,5-diethyl 1h-pyrazole-3,5-dicarboxylate,1h-pyrazole-3,5-dicarboxylic acid, diethyl ester,zlchem 861,pubchem22955,acmc-1aj76 PubChem CID: 142184 IUPAC Name: diethyl 1H-pyrazole-3,5-dicarboxylate SMILES: CCOC(=O)C1=CC(=NN1)C(=O)OCC

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Specifications

PubChem CID	142184
CAS	37687-24-4
Molecular Weight (g/mol)	212.21
MDL Number	MFCD00152167
SMILES	CCOC(=O)C1=CC(=NN1)C(=O)OCC
Synonym	diethyl 3,5-pyrazoledicarboxylate,diethyl pyrazole-3,5-dicarboxylate,3,5-diethoxycarbonylpyrazole,1h-pyrazole-3,5-dicarboxylic acid diethyl ester,3,5-pyrazoledicarboxylic acid diethyl ester,3,5-diethyl 1h-pyrazole-3,5-dicarboxylate,1h-pyrazole-3,5-dicarboxylic acid, diethyl ester,zlchem 861,pubchem22955,acmc-1aj76
IUPAC Name	diethyl 1H-pyrazole-3,5-dicarboxylate
InChI Key	MBWXLICVQZUJOW-UHFFFAOYSA-N
Molecular Formula	C9H12N2O4

5-Aminobenzothiazole, 96%

CAS: 1123-93-9 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD04115282 InChI Key: UJZYHMZRXGNDFB-UHFFFAOYSA-N Synonym: 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole PubChem CID: 70749 IUPAC Name: 1,3-benzothiazol-5-amine SMILES: NC1=CC=C2SC=NC2=C1

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Specifications

PubChem CID	70749
CAS	1123-93-9
Molecular Weight (g/mol)	150.20
MDL Number	MFCD04115282
SMILES	NC1=CC=C2SC=NC2=C1
Synonym	5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole
IUPAC Name	1,3-benzothiazol-5-amine
InChI Key	UJZYHMZRXGNDFB-UHFFFAOYSA-N
Molecular Formula	C7H6N2S

4-Vinylpyridine, 96%, low polymer, stab. with 100ppm hydroquinone

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

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Specifications

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

2,3,5,6-Tetramethylpyrazine, 98+%

CAS: 1124-11-4 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00006146 InChI Key: FINHMKGKINIASC-UHFFFAOYSA-N Synonym: tetramethylpyrazine,ligustrazine,pyrazine, tetramethyl,bs factor,tetramethylpyrazin,liqustrazine,tetrapyrazine,2,3,5,6-tetramethyl pyrazine,chuanxiongzine,ligustizine PubChem CID: 14296 IUPAC Name: 2,3,5,6-tetramethylpyrazine SMILES: CC1=C(N=C(C(=N1)C)C)C

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Specifications

PubChem CID	14296
CAS	1124-11-4
Molecular Weight (g/mol)	136.198
MDL Number	MFCD00006146
SMILES	CC1=C(N=C(C(=N1)C)C)C
Synonym	tetramethylpyrazine,ligustrazine,pyrazine, tetramethyl,bs factor,tetramethylpyrazin,liqustrazine,tetrapyrazine,2,3,5,6-tetramethyl pyrazine,chuanxiongzine,ligustizine
IUPAC Name	2,3,5,6-tetramethylpyrazine
InChI Key	FINHMKGKINIASC-UHFFFAOYSA-N
Molecular Formula	C8H12N2

2-Methyl-4-isothiazolin-3-one, 50% aqueous solution

CAS: 2682-20-4 Molecular Formula: C₄H₅NOS Molecular Weight (g/mol): 115.15 InChI Key: BEGLCMHJXHIJLR-UHFFFAOYSA-N Synonym: 2-methyl-4-isothiazolin-3-one,methylisothiazolinone,2-methyl-4-isothiazoline-3-one,2-methylisothiazol-3 2h-one,2-methyl-3 2h-isothiazolone,n-methylisothiazolone,3 2h-isothiazolone, 2-methyl,caswell no. 572a,2-methyl-3-isothiazolone,unii-229d0e1qfa PubChem CID: 39800 ChEBI: CHEBI:53620 IUPAC Name: 2-methyl-1,2-thiazol-3-one SMILES: CN1C(=O)C=CS1

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Specifications

PubChem CID	39800
CAS	2682-20-4
Molecular Weight (g/mol)	115.15
ChEBI	CHEBI:53620
SMILES	CN1C(=O)C=CS1
Synonym	2-methyl-4-isothiazolin-3-one,methylisothiazolinone,2-methyl-4-isothiazoline-3-one,2-methylisothiazol-3 2h-one,2-methyl-3 2h-isothiazolone,n-methylisothiazolone,3 2h-isothiazolone, 2-methyl,caswell no. 572a,2-methyl-3-isothiazolone,unii-229d0e1qfa
IUPAC Name	2-methyl-1,2-thiazol-3-one
InChI Key	BEGLCMHJXHIJLR-UHFFFAOYSA-N
Molecular Formula	C₄H₅NOS

2-Thiopheneboronic acid, 97%

CAS: 6165-68-0 Molecular Formula: C4H5BO2S Molecular Weight (g/mol): 127.95 MDL Number: MFCD00151850 InChI Key: ARYHTUPFQTUBBG-UHFFFAOYSA-N Synonym: thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl PubChem CID: 2733960 IUPAC Name: thiophen-2-ylboronic acid SMILES: OB(O)C1=CC=CS1

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Specifications

PubChem CID	2733960
CAS	6165-68-0
Molecular Weight (g/mol)	127.95
MDL Number	MFCD00151850
SMILES	OB(O)C1=CC=CS1
Synonym	thiophene-2-boronic acid,2-thiopheneboronic acid,2-thienylboronic acid,thienylboronic acid,2-thiopheneboronicacid,thiophen-2-ylboranediol,thiophene2-boronic acid,thiophen-2-yl boronic acid,2-thiophenylboric acid,boronic acid, thienyl
IUPAC Name	thiophen-2-ylboronic acid
InChI Key	ARYHTUPFQTUBBG-UHFFFAOYSA-N
Molecular Formula	C4H5BO2S

4-(2-Thienyl)butyric acid, 98%

CAS: 4653-11-6 MDL Number: MFCD00005463

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Specifications

CAS	4653-11-6
MDL Number	MFCD00005463

3-(3-Furyl)acrylic acid, 98%

CAS: 39244-10-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00075074 InChI Key: JHAPZUDWRRBZHZ-UHFFFAOYSA-N Synonym: 3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid PubChem CID: 643403 IUPAC Name: (E)-3-(furan-3-yl)prop-2-enoic acid SMILES: OC(=O)C=CC1=COC=C1

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Specifications

PubChem CID	643403
CAS	39244-10-5
Molecular Weight (g/mol)	138.12
MDL Number	MFCD00075074
SMILES	OC(=O)C=CC1=COC=C1
Synonym	3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid
IUPAC Name	(E)-3-(furan-3-yl)prop-2-enoic acid
InChI Key	JHAPZUDWRRBZHZ-UHFFFAOYSA-N
Molecular Formula	C7H6O3

3-Ethynylthiophene, 96%

CAS: 67237-53-0 Molecular Formula: C₆H₄S Molecular Weight (g/mol): 108.16 InChI Key: MJHLPKWONJUCFK-UHFFFAOYSA-N Synonym: 3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b PubChem CID: 3548422 IUPAC Name: 3-ethynylthiophene SMILES: C#CC1=CSC=C1

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Specifications

PubChem CID	3548422
CAS	67237-53-0
Molecular Weight (g/mol)	108.16
SMILES	C#CC1=CSC=C1
Synonym	3-ethynyl thiophene,thiophene, 3-ethynyl,3-thienylacetylene,thiophen-3-yl acetylene,3-ethynyl-thiophene,3-ethynyl thiophene;,pubchem16122,thien-3-yl acetylene,3-ethynylthiophene,ksc352m9b
IUPAC Name	3-ethynylthiophene
InChI Key	MJHLPKWONJUCFK-UHFFFAOYSA-N
Molecular Formula	C₆H₄S

2-Methylthiophene, 98%

CAS: 554-14-3 Molecular Formula: C₅H₆S Molecular Weight (g/mol): 98.16 MDL Number: MFCD00005451 InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N Synonym: thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204 PubChem CID: 11126 IUPAC Name: 2-methylthiophene SMILES: CC1=CC=CS1

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Specifications

PubChem CID	11126
CAS	554-14-3
Molecular Weight (g/mol)	98.16
MDL Number	MFCD00005451
SMILES	CC1=CC=CS1
Synonym	thiophene, 2-methyl,2-methyl thiophene,thiophene, methyl,alpha-methylthiophene,ccris 2936,2-methyl-thiophene,unii-7115jap77a,2-methylthiacyclopentadiene,a-thiotolene,pubchem5204
IUPAC Name	2-methylthiophene
InChI Key	XQQBUAPQHNYYRS-UHFFFAOYSA-N
Molecular Formula	C₅H₆S

2-Aminobenzothiazole, 98%

CAS: 136-95-8 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.199 MDL Number: MFCD00005785 InChI Key: UHGULLIUJBCTEF-UHFFFAOYSA-N Synonym: 2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine PubChem CID: 8706 IUPAC Name: 1,3-benzothiazol-2-amine SMILES: C1=CC=C2C(=C1)N=C(S2)N

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Specifications

PubChem CID	8706
CAS	136-95-8
Molecular Weight (g/mol)	150.199
MDL Number	MFCD00005785
SMILES	C1=CC=C2C(=C1)N=C(S2)N
Synonym	2-aminobenzothiazole,2-benzothiazolamine,benzo d thiazol-2-amine,benzothiazol-2-ylamine,2-aminobenzthiazole,benzothiazole-2-ylamine,2-iminobenzothiazoline,o-aminobenzothiazole,benzothiazole, 2-amino,2-benzothiazolylamine
IUPAC Name	1,3-benzothiazol-2-amine
InChI Key	UHGULLIUJBCTEF-UHFFFAOYSA-N
Molecular Formula	C7H6N2S

Heteroaromatic compounds

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