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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1,2-Benzisothiazol-3(2H)-one 98.0+%, TCI America™

CAS: 2634-33-5 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00127753 InChI Key: DMSMPAJRVJJAGA-UHFFFAOYSA-N Synonym: 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one PubChem CID: 17520 ChEBI: CHEBI:167099 IUPAC Name: 1,2-benzothiazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NS2

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PubChem CID	17520
CAS	2634-33-5
Molecular Weight (g/mol)	151.183
ChEBI	CHEBI:167099
MDL Number	MFCD00127753
SMILES	C1=CC=C2C(=C1)C(=O)NS2
Synonym	1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one
IUPAC Name	1,2-benzothiazol-3-one
InChI Key	DMSMPAJRVJJAGA-UHFFFAOYSA-N
Molecular Formula	C7H5NOS

Benzothiazole, 97%

CAS: 95-16-9 Molecular Formula: C7H5NS Molecular Weight (g/mol): 135.184 MDL Number: MFCD00005775 InChI Key: IOJUPLGTWVMSFF-UHFFFAOYSA-N Synonym: benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep PubChem CID: 7222 ChEBI: CHEBI:45993 IUPAC Name: 1,3-benzothiazole SMILES: C1=CC=C2C(=C1)N=CS2

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PubChem CID	7222
CAS	95-16-9
Molecular Weight (g/mol)	135.184
ChEBI	CHEBI:45993
MDL Number	MFCD00005775
SMILES	C1=CC=C2C(=C1)N=CS2
Synonym	benzothiazole,benzo d thiazole,benzosulfonazole,1-thia-3-azaindene,vangard bt,benzothiazol,usaf ek-4812,benzthiazole,fema number 3256,unii-g5bw2593ep
IUPAC Name	1,3-benzothiazole
InChI Key	IOJUPLGTWVMSFF-UHFFFAOYSA-N
Molecular Formula	C7H5NS

Furan-3-boronic acid, 97%

CAS: 55552-70-0 Molecular Formula: C4H5BO3 Molecular Weight (g/mol): 111.89 MDL Number: MFCD01319007 InChI Key: CYEFKCRAAGLNHW-UHFFFAOYSA-N Synonym: furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl PubChem CID: 2734358 IUPAC Name: furan-3-ylboronic acid SMILES: OB(O)C1=COC=C1

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PubChem CID	2734358
CAS	55552-70-0
Molecular Weight (g/mol)	111.89
MDL Number	MFCD01319007
SMILES	OB(O)C1=COC=C1
Synonym	furan-3-boronic acid,3-furanboronic acid,3-furylboronic acid,furan-3-yl boronic acid,3-furanylboronic acid,furan-3-ylboranediol,3-furan boronic acid,furan-3-yl-3-boronic acid,furan-3-yl-boronic acid,boronic acid, 3-furanyl
IUPAC Name	furan-3-ylboronic acid
InChI Key	CYEFKCRAAGLNHW-UHFFFAOYSA-N
Molecular Formula	C4H5BO3

Pyrazine, 99+%

CAS: 290-37-9 Molecular Formula: C₄H₄N₂ Molecular Weight (g/mol): 80.09 InChI Key: KYQCOXFCLRTKLS-UHFFFAOYSA-N Synonym: 1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine; PubChem CID: 9261 ChEBI: CHEBI:30953 IUPAC Name: pyrazine SMILES: C1=CN=CC=N1

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PubChem CID	9261
CAS	290-37-9
Molecular Weight (g/mol)	80.09
ChEBI	CHEBI:30953
SMILES	C1=CN=CC=N1
Synonym	1,4-diazine,p-diazine,paradiazine,piazine,1,4-diazabenzene,pyrazin,ccris 1331,1,4-diazin,mixture,mu-pyrazine;
IUPAC Name	pyrazine
InChI Key	KYQCOXFCLRTKLS-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂

Thiophene, 99+%, extra pure

CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1

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PubChem CID	8030
CAS	110-02-1
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:30856
MDL Number	MFCD00005413
SMILES	S1C=CC=C1
Synonym	thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio
IUPAC Name	thiophene
InChI Key	YTPLMLYBLZKORZ-UHFFFAOYSA-N
Molecular Formula	C4H4S

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]

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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

3-Methylfuran, 98%

CAS: 930-27-8 Molecular Formula: C₅H₆O Molecular Weight (g/mol): 82.1 MDL Number: MFCD00060134 InChI Key: KJRRQXYWFQKJIP-UHFFFAOYSA-N Synonym: furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr PubChem CID: 13587 IUPAC Name: 3-methylfuran SMILES: CC1=COC=C1

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Specifications

PubChem CID	13587
CAS	930-27-8
Molecular Weight (g/mol)	82.1
MDL Number	MFCD00060134
SMILES	CC1=COC=C1
Synonym	furan, 3-methyl,3-methylfurane,3-methyl furan,3-methyl-furan,3-methyl-fura,3-methylfuran,pubchem19993,3-methylfuran-methyl-d3,acmc-20an04,3-methylfuran 1gr
IUPAC Name	3-methylfuran
InChI Key	KJRRQXYWFQKJIP-UHFFFAOYSA-N
Molecular Formula	C₅H₆O

Pyrazinamide, 99%

CAS: 98-96-4 Molecular Formula: C₅H₅N₃O Molecular Weight (g/mol): 123.11 MDL Number: MFCD00006132 InChI Key: IPEHBUMCGVEMRF-UHFFFAOYSA-N Synonym: pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat PubChem CID: 1046 ChEBI: CHEBI:45285 IUPAC Name: pyrazine-2-carboxamide SMILES: C1=CN=C(C=N1)C(=O)N

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PubChem CID	1046
CAS	98-96-4
Molecular Weight (g/mol)	123.11
ChEBI	CHEBI:45285
MDL Number	MFCD00006132
SMILES	C1=CN=C(C=N1)C(=O)N
Synonym	pyrazinamide,pyrazinecarboxamide,zinamide,pyrazinoic acid amide,2-pyrazinecarboxamide,aldinamide,aldinamid,pirazinamid,pyrazineamide,pyrafat
IUPAC Name	pyrazine-2-carboxamide
InChI Key	IPEHBUMCGVEMRF-UHFFFAOYSA-N
Molecular Formula	C₅H₅N₃O

Imidazole, >98.5% (Dry Basis), Ultrapure

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: 1 H-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	1 H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

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

Xanthane Hydride 95.0+%, TCI America™

CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.232 MDL Number: MFCD00051660 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N Synonym: xanthane hydride,3-amino-1,2,4-dithiazole-5-thione,5-imino-1,2,4-dithiazolidine-3-thione,xanthanohydrogen,isoperthiocyanic acid,5-amino-3h-1,2,4-dithiazole-3-thione,xanthahydrogen,1,2,4-dithiazolidine-3-thione, 5-imino,1,2,4-dithiazole-3-thione, 5-amino,5-imino-5h-1,2,4 dithiazole-3-thiol PubChem CID: 2735329 IUPAC Name: 5-amino-1,2,4-dithiazole-3-thione SMILES: C1(=NC(=S)SS1)N

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PubChem CID	2735329
CAS	6846-35-1
Molecular Weight (g/mol)	150.232
MDL Number	MFCD00051660
SMILES	C1(=NC(=S)SS1)N
Synonym	xanthane hydride,3-amino-1,2,4-dithiazole-5-thione,5-imino-1,2,4-dithiazolidine-3-thione,xanthanohydrogen,isoperthiocyanic acid,5-amino-3h-1,2,4-dithiazole-3-thione,xanthahydrogen,1,2,4-dithiazolidine-3-thione, 5-imino,1,2,4-dithiazole-3-thione, 5-amino,5-imino-5h-1,2,4 dithiazole-3-thiol
IUPAC Name	5-amino-1,2,4-dithiazole-3-thione
InChI Key	YWZHEXZIISFIDA-UHFFFAOYSA-N
Molecular Formula	C2H2N2S3

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

2,7-Dibromocarbazole

CAS: 136630-39-2 Molecular Formula: C12H7Br2N Molecular Weight (g/mol): 325.00 InChI Key: QPTWWBLGJZWRAV-UHFFFAOYSA-N IUPAC Name: 2,7-dibromo-9H-carbazole SMILES: BrC1=CC2=C(C=C1)C1=C(N2)C=C(Br)C=C1

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Specifications

CAS	136630-39-2
Molecular Weight (g/mol)	325.00
SMILES	BrC1=CC2=C(C=C1)C1=C(N2)C=C(Br)C=C1
IUPAC Name	2,7-dibromo-9H-carbazole
InChI Key	QPTWWBLGJZWRAV-UHFFFAOYSA-N
Molecular Formula	C12H7Br2N

2-Mercaptothiazole, 97%

CAS: 82358-09-6 Molecular Formula: C3H3NS2 Molecular Weight (g/mol): 117.18 MDL Number: MFCD00022449 InChI Key: OCVLSHAVSIYKLI-UHFFFAOYSA-N Synonym: 2-mercaptothiazole,2 3h-thiazolethione,2-thiazolethiol,1,3-thiazole-2-thiol,thiazoline-2-thione,2-mercapto-1,3-thiazole,3h-thiazole-2-thione,thiazole-2-thiol,1,3-thiazole-2 3h-thione,.delta.4-thiazoline-2-thione PubChem CID: 1201387 SMILES: S=C1NC=CS1

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Specifications

PubChem CID	1201387
CAS	82358-09-6
Molecular Weight (g/mol)	117.18
MDL Number	MFCD00022449
SMILES	S=C1NC=CS1
Synonym	2-mercaptothiazole,2 3h-thiazolethione,2-thiazolethiol,1,3-thiazole-2-thiol,thiazoline-2-thione,2-mercapto-1,3-thiazole,3h-thiazole-2-thione,thiazole-2-thiol,1,3-thiazole-2 3h-thione,.delta.4-thiazoline-2-thione
InChI Key	OCVLSHAVSIYKLI-UHFFFAOYSA-N
Molecular Formula	C3H3NS2

1H-Benzimidazole-2-carboxylic acid hydrate, 90%, Thermo Scientific™

CAS: 849776-47-2 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 InChI Key: YQHUUYLPOCNBKD-UHFFFAOYSA-N Synonym: 1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1 PubChem CID: 18525703 IUPAC Name: 1H-benzimidazole-2-carboxylic acid;hydrate SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)O.O

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Specifications

PubChem CID	18525703
CAS	849776-47-2
Molecular Weight (g/mol)	180.163
SMILES	C1=CC=C2C(=C1)NC(=N2)C(=O)O.O
Synonym	1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1
IUPAC Name	1H-benzimidazole-2-carboxylic acid;hydrate
InChI Key	YQHUUYLPOCNBKD-UHFFFAOYSA-N
Molecular Formula	C8H8N2O3

Heteroaromatic compounds

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