AG00CAVG

39736-28-2 | 4-Amino-2-methylthiothiazole-5-carbonitrile

AG00CAVG

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CAS Number	39736-28-2
Catalog Number	AG00CAVG(AGN-PC-0JUSN4)
Chemical Name	4-Amino-2-methylthiothiazole-5-carbonitrile
IUPAC Name	4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile
InChI	InChI=1S/C5H5N3S2/c1-9-5-8-4(7)3(2-6)10-5/h7H2,1H3
InChI Key	USUFPYSYQQCDED-UHFFFAOYSA-N
MDL Number	MFCD00266086
Molecular Formula	C5H5N3S2
Molecular Weight	171.2433
SMILES	N#CC1=C(N)N=C(SC)S1
Synonyms	39736-28-2, 4-Amino-2-(methylthio)thiazole-5-carbonitrile, 4-Amino-2-methylthiothiazole-5-carbonitrile, 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carbonitrile, AA-516/30012019, 2-methylthio-4-amino-5-cyanothiazole, AC1LDWJK, 4-amino-2-(methylthio)-5-thiazolecarbonitrile, TimTec1_005097, SCHEMBL167563, CTK4I1811, ZINC39461, DTXSID90350283, USUFPYSYQQCDED-UHFFFAOYSA-N, HMS1548H15, FCH840974, MFCD00266086, SBB088535, AKOS004902952, ACM39736282, 2-(Methylthio)-4-amino-5-cyanothiazole, 4-Amino-5-cyano-2-(methylthio)thiazole, 2-methylmercapto-4-amino-5-cyanothiazole, AJ-08845, AX8246495, CS-0085288, FT-0716784, 4-amino-2-methylthio-thiazole-5-carbonitrile, 4-Amino-2-methylsulfanyl-thiazole-5-carbonitrile, 5-Thiazolecarbonitrile,4-amino-2-(methylthio)-, 4-Amino-2-(methylsulfanyl)thiazole-5-carbonitrile, 4-amino-2-methylthio-1,3-thiazole-5-carbonitrile, A824715, 4-amino-2-(methylthio)-1,3-thiazole-5-carbonitrile, 4-amino-2-methylsulfanyl-1,3-thiazole-5-carbonitrile, 4-azanyl-2-methylsulfanyl-1,3-thiazole-5-carbonitrile, CID676411, ZINC00039461,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.992g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.236g/mol
Monoisotopic Mass	170.992g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	116A^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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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