AG007MU3

2602-85-9 | 1,3-Benzothiazole-2-carbonitrile

AG007MU3

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CAS Number	2602-85-9
Catalog Number	AG007MU3(AGN-PC-0JU6ES)
Chemical Name	1,3-Benzothiazole-2-carbonitrile
IUPAC Name	1,3-benzothiazole-2-carbonitrile
InChI	InChI=1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
InChI Key	UYHQUNLVWOAJQW-UHFFFAOYSA-N
MDL Number	MFCD08848199
Molecular Formula	C8H4N2S
Molecular Weight	160.1958
SMILES	N#CC1=NC2=CC=CC=C2S1
Synonyms	2-cyanobenzothiazole, Benzo[d]thiazole-2-carbonitrile, 1,3-benzothiazole-2-carbonitrile, 2602-85-9, 2-benzothiazolecarbonitrile, 2-Cyanobenzothiazole, 2-Cyano-benzo[d]thiazole, benzothiazole-2-carbonitrile, benzothiazolecarbonitrile, CYANOBENZOTHIAZOLE, AC1LCWM8, SCHEMBL492446, 1,3-benzothiazol-2-yl cyanide, CTK0J9740, DTXSID60348576, UYHQUNLVWOAJQW-UHFFFAOYSA-N, ALBB-008674, ZX-AN007578, 2209AB, FCH863465, MFCD08848199, SBB014679, STK505490, ZINC12360442, AKOS005171776, ACM2602859, DS-5660, MCULE-7721983316, OR45147, AJ-61682, AK112486, ST087653, AX8171677, DB-000543, TR-060714, BB 0253816, 187358-EP2269064A1, InChI=1/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4, C8H4N2S, CID638560, 2-Benzothiazolecarbonitrile (7CI,8CI,9CI), T0433,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.01g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.194g/mol
Monoisotopic Mass	160.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number