AG00CJ0C

315228-79-6 | 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)

AG00CJ0C

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CAS Number	315228-79-6
Catalog Number	AG00CJ0C(AGN-PC-03JBRX)
Chemical Name	6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)
IUPAC Name	2-sulfanylidene-3H-1,3-benzothiazole-6-carbonitrile
InChI	InChI=1S/C8H4N2S2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
InChI Key	XRIDVJQTZRUCDJ-UHFFFAOYSA-N
MDL Number	MFCD11845316
Molecular Formula	C8H4N2S2
Molecular Weight	192.2608
SMILES	N#CC1=CC=C2NC(SC2=C1)=S
Synonyms	2-Mercaptobenzo[d]thiazole-6-carbonitrile, 315228-79-6, 2-MERCAPTOBENZOTHIAZOLE-6-CARBONITRILE, 6-Benzothiazolecarbonitrile, 2,3-dihydro-2-thioxo-, AK102446, 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI), 6-BENZOTHIAZOLECARBONITRILE,2,3-DIHYDRO-2-THIOXO-, PubChem24304, SCHEMBL2032785, CTK8B9162, DTXSID40621773, XRIDVJQTZRUCDJ-UHFFFAOYSA-N, 3407AB, ANW-62125, MFCD11845316, ZINC45236162, AKOS016004810, DS-3843, FCH1191786, 2-Mercapto-benzothiazole-6-carbonitrile, KS-00000Q91, AC-27157, AN-29031, AX8233985, TC-150870, 2-mercapto-1,3-benzothiazole-6-carbonitrile, 2-thioxo-3H-1,3-benzothiazole-6-carbonitrile, 2-Thioxo-2,3-dihydrobenzothiazole-6-carbonitrile, 845M316, 2-Sulfanylidene-2,3-dihydro-1,3-benzothiazole-6-carbonitrile, 2-SULFANYLIDENE-3H-1,3-BENZOTHIAZOLE-6-CARBONITRILE, C8H4N2S2, 6-Benzothiazolecarbonitrile, 2,3-dihydro-2-thioxo- (9CI),

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.982g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.254g/mol
Monoisotopic Mass	191.982g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	93.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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