AG008Z35

105314-08-7 | 5-Benzothiazolecarbonitrile,2-amino-(9CI)

AG008Z35

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CAS Number	105314-08-7
Catalog Number	AG008Z35(AGN-PC-0JWK62)
Chemical Name	5-Benzothiazolecarbonitrile,2-amino-(9CI)
IUPAC Name	2-amino-1,3-benzothiazole-5-carbonitrile
InChI	InChI=1S/C8H5N3S/c9-4-5-1-2-7-6(3-5)11-8(10)12-7/h1-3H,(H2,10,11)
InChI Key	ZYDVWUVIXJDLIV-UHFFFAOYSA-N
MDL Number	MFCD05664565
Molecular Formula	C8H5N3S
Molecular Weight	175.2104
SMILES	N#CC1=CC=C(SC(N)=N2)C2=C1
Synonyms	2-Aminobenzo[d]thiazole-5-carbonitrile, 105314-08-7, 2-amino-1,3-benzothiazole-5-carbonitrile, 2-AMINO-5-CYANOBENZOTHIAZOLE, 2-aminobenzothiazole-5-carbonitrile, AK-80117, AR-009/42290066, PubChem24296, AC1LGH6M, SCHEMBL9808445, CTK7C8342, KS-00000ONW, DTXSID40356295, ZINC337930, 2-Amino-5-benzothiazolecarbonitrile, 5-Benzothiazolecarbonitrile,2-aMino-, ANW-60799, FCH922673, MFCD05664565, SBB089064, AKOS006343537, AC-25112, AJ-19884, AM802873, AN-34014, SC-21698, 5-Benzothiazolecarbonitrile,2-amino-(9CI), AB1007787, AX8211998, TC-149544, CS-0005568, ST24039996, 314A087, CID821215, ZINC00337930, 5-Benzothiazolecarbonitrile, 2-amino-, 5-Benzothiazolecarbonitrile, 2-amino- (9CI),

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.209g/mol
Monoisotopic Mass	175.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number