AG002AGW

2060-63-1 | benzo[b]thiophene-5-carbonitrile

AG002AGW

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CAS Number	2060-63-1
Catalog Number	AG002AGW(AGN-PC-0KL7JF)
Chemical Name	benzo[b]thiophene-5-carbonitrile
IUPAC Name	1-benzothiophene-5-carbonitrile
InChI	InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChI Key	IPJUOWGTGHKFKN-UHFFFAOYSA-N
MDL Number	MFCD05664404
Molecular Formula	C9H5NS
Molecular Weight	159.2077
SMILES	N#CC1=CC2=C(SC=C2)C=C1
Synonyms	1-BENZOTHIOPHENE-5-CARBONITRILE, 2060-63-1, benzo[b]thiophene-5-carbonitrile, IPJUOWGTGHKFKN-UHFFFAOYSA-N, 5-cyanobenzothiophene, PubChem9722, AC1MDTEI, 5-Thionaphthenecarbonitrile, SCHEMBL574252, Benzo[]thiophene-5-carbonitrile, CTK4E4655, KS-00001BGW, DTXSID30383676, Benzo[|A]thiophene-5-carbonitrile, ZINC2548358, ANW-59507, MFCD05664404, SBB087382, AKOS006282087, MB03564, MCULE-2904091637, NE41945, RP02105, VT20006, AJ-39522, AS-50473, DB-025607, TC-010491, CS-0036253, FT-0634012, Y8190, A814742, W-206539, I14-98913, C9H5NS, ZINC02548358, ACN-025862, CID2795452, N/A,

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-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number