AG00GSOM

939-69-5 | 2-Cyano-6-Hydroxybenzothiazole

AG00GSOM

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CAS Number	939-69-5
Catalog Number	AG00GSOM(AGN-PC-0MV2IN)
Chemical Name	2-Cyano-6-Hydroxybenzothiazole
IUPAC Name	6-hydroxy-1,3-benzothiazole-2-carbonitrile
InChI	InChI=1S/C8H4N2OS/c9-4-8-10-6-2-1-5(11)3-7(6)12-8/h1-3,11H
InChI Key	SQAVNBZDECKYOT-UHFFFAOYSA-N
MDL Number	MFCD00296905
Molecular Formula	C8H4N2OS
Molecular Weight	176.1952
SMILES	C(#N)C1=NC2=C(S1)C=C(C=C2)O
Synonyms	2-Cyano-6-hydroxybenzothiazole, 939-69-5, 6-hydroxybenzo[d]thiazole-2-carbonitrile, 6-hydroxy-1,3-benzothiazole-2-carbonitrile, 6-hydroxybenzothiazole-2-carbonitrile, 2-Benzothiazolecarbonitrile, 6-hydroxy-, GEO-00837, AK-24194, MFCD00296905, 2-Cyano-6-hydroxybenzothiazole, 97%, 6-Hydroxy-benzothiazole-2-carbonitrile, 6-Hydroxy-2-Benzothiazolecarbonitrile, PubChem19680, SCHEMBL140656, 6-hydroxy-2-cyanobenzothiazole, BEN041, 6-hydroxy-2-cyano-benzothiazole, CTK3I6574, DTXSID10432318, SQAVNBZDECKYOT-UHFFFAOYSA-N, ACT08716, ZINC2565191, ZX-AT016018, ANW-51705, BBL101177, FCH841120, STL554973, AKOS005257673, AC-7689, ACN-049426, AN-8779, CS-W005799, FS-2463, LS41856, OR52126, RP23787, VT10093, AJ-41102, BC686289, BR-24194, CJ-09701, EN001608, SC-20045, 6-hydroxy-benzo[d]thiazole-2-carbonitrile, 6-hydroxybenzo-[d]thiazole-2-carbonitrile, AB0027767, AX8074084, DB-009211, ST2412412, TC-020695, 4CH-003518, 6-Hydroxybenzothiazole-2-carbonitrile, 96%, AM20041433, FT-0603716, W9641, A-2424, 939C695, I14-1110, J-509202, C8H4N2OS, CID9881912, A11051, 2-Benzothiazolecarbonitrile, 6-hydroxy- (7CI,8CI,9CI), 6-Hydroxy-benzothiazole-2-carbonitrile, 95% - 1G 1g,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.193g/mol
Monoisotopic Mass	176.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	85.2A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number