AG00C7M9

41808-35-9 | 5-Amino-3-methyl-isothiazole-4-carbonitrile

AG00C7M9

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CAS Number	41808-35-9
Catalog Number	AG00C7M9(AGN-PC-0K6290)
Chemical Name	5-Amino-3-methyl-isothiazole-4-carbonitrile
IUPAC Name	5-amino-3-methyl-1,2-thiazole-4-carbonitrile
InChI	InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChI Key	PJQFZPWSFDVYIF-UHFFFAOYSA-N
MDL Number	MFCD03422694
Molecular Formula	C5H5N3S
Molecular Weight	139.1783
SMILES	CC1=NSC(N)=C1C#N
Synonyms	41808-35-9, 5-amino-3-methylisothiazole-4-carbonitrile, 5-Amino-3-methyl-isothiazole-4-carbonitrile, 5-amino-4-cyano-3-methylisothiazole, 5-amino-3-methyl-1,2-thiazole-4-carbonitrile, 5-amino-4-cyano-3-methyl isothiazole, 4-Isothiazolecarbonitrile,5-amino-3-methyl-, PubChem24254, AC1LSX6F, SCHEMBL164493, CTK4I5257, DTXSID00363506, PJQFZPWSFDVYIF-UHFFFAOYSA-N, KS-00001A5S, ZINC1414956, 5755AB, ANW-68289, MFCD03422694, SBB086101, STK399042, AKOS005224078, AS-5510, MCULE-7113581694, NCGC00340236-01, 5amino-3-methylisothiazole-4-carbonitrile, AC-27177, AJ-25745, AM803881, AB0002048, TR-071846, CS-0005575, FT-0689873, AB01332001-02, 808A359, I11-0338, Z1741971359, C5H5N3S, CID1497702, 4-Isothiazolecarbonitrile, 5-aMino-3-Methyl-,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	139.02g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.176g/mol
Monoisotopic Mass	139.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3439

Certificate of Analysis

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