AG00D58F

352328-55-3 | 1-(4-Amino-2-Methylsulfanyl-Pyrimidin-5-Yl)-Ethanone

AG00D58F

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CAS Number	352328-55-3
Catalog Number	AG00D58F(AGN-PC-0NH9DP)
Chemical Name	1-(4-Amino-2-Methylsulfanyl-Pyrimidin-5-Yl)-Ethanone
IUPAC Name	1-(4-amino-2-methylsulfanylpyrimidin-5-yl)ethanone
InChI	InChI=1S/C7H9N3OS/c1-4(11)5-3-9-7(12-2)10-6(5)8/h3H,1-2H3,(H2,8,9,10)
InChI Key	GVXVSVNJQPKFPZ-UHFFFAOYSA-N
MDL Number	MFCD00008306
Molecular Formula	C7H9N3OS
Molecular Weight	183.2309
SMILES	CSc1ncc(C(C)=O)c(N)n1
Synonyms	352328-55-3, 1-(4-amino-2-(methylthio)pyrimidin-5-yl)ethanone, 1-(4-Amino-2-methylsulfanyl-pyrimidin-5-yl)-ethanone, 1-[4-amino-2-(methylsulfanyl)pyrimidin-5-yl]ethan-1-one, 1-(4-amino-2-methylsulfanylpyrimidin-5-yl)ethanone, 1-[4-Amino-2-(methylthio)-5-pyrimidinyl]-ethanone, SCHEMBL6073484, GVXVSVNJQPKFPZ-UHFFFAOYSA-N, KS-000008SX, MFCD19980631, ZINC38338723, AKOS025291367, FCH1283355, AK171981, AS-34982, ST1140943, CS-0052672, 1-(4-Amino-2-methylsulfanyl-pyrimidin-5-yl)-ethanone, AldrichCPR, CID11183013, 1-(4-amino-2-methylsulfanyl-pyrimidin-5-yl)ethanone,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	183.229g/mol
Monoisotopic Mass	183.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	94.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

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