AG007N9P

24434-84-2 | Benzo[b]thiophene-3-carbonitrile

AG007N9P

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CAS Number	24434-84-2
Catalog Number	AG007N9P(AGN-PC-0091TM)
Chemical Name	Benzo[b]thiophene-3-carbonitrile
IUPAC Name	1-benzothiophene-3-carbonitrile
InChI	InChI=1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
InChI Key	WBXHAYDGMCONLX-UHFFFAOYSA-N
MDL Number	MFCD08276872
Molecular Formula	C9H5NS
Molecular Weight	159.2077
SMILES	N#CC1=CSC2=C1C=CC=C2
Synonyms	Benzo[b]thiophene-3-carbonitrile, 24434-84-2, 1-Benzothiophene-3-carbonitrile, 3-Cyanobenzo[b]thiophene, WBXHAYDGMCONLX-UHFFFAOYSA-N, 3-Cyano-1-benzothiophene, CHEMBL596115, SCHEMBL1062508, CTK0J9856, KS-00000QKF, DTXSID50465701, 1-benzo[b]thiophene-3-carbonitrile, ANW-68019, MFCD08276872, ZINC15042992, AKOS011993904, RP22287, Benzo[b]thiophene-3-carbonitrile, 97%, AJ-67181, AK-80846, DS-16051, FS002051, TC-156764, 4CH-021812, FT-0687958, ST24046035, Z3086, J-015526, J-519711, C9H5NS, Benzothiophene-3-carbonitrile, ACN-051887, CID11435093, Benzothiophene-3-carbonitrile, 97% - 1G 1g,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.014g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.206g/mol
Monoisotopic Mass	159.014g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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