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Home Carboxys 5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, methyl ester

5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, methyl ester

CAS No.:
166392-24-1
Catalog Number:
AG001WOR
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
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Product Description
Catalog Number:
AG001WOR
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-methyl-2-(methylthio)-, methyl ester
CAS Number:
166392-24-1
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.2422
MDL Number:
MFCD04125151
IUPAC Name:
methyl 4-methyl-2-methylsulfanylpyrimidine-5-carboxylate
InChI:
InChI=1S/C8H10N2O2S/c1-5-6(7(11)12-2)4-9-8(10-5)13-3/h4H,1-3H3
InChI Key:
OHLGXWUCKHXDGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(nc1C)SC
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.24g/mol
Monoisotopic Mass:
198.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties