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1239759-41-1 | 4(3H)-Pyrimidinone, 6-chloro-2-(ethylthio)-3-methyl-
CAS No: 1239759-41-1 Catalog No: AG000LB4 MDL No:
Product Description
Catalog Number:
AG000LB4
Chemical Name:
4(3H)-Pyrimidinone, 6-chloro-2-(ethylthio)-3-methyl-
CAS Number:
1239759-41-1
Molecular Formula:
C7H9ClN2OS
Molecular Weight:
204.6772
IUPAC Name:
6-chloro-2-ethylsulfanyl-3-methylpyrimidin-4-one
InChI:
InChI=1S/C7H9ClN2OS/c1-3-12-7-9-5(8)4-6(11)10(7)2/h4H,3H2,1-2H3
InChI Key:
OGZYVZWFECRBSD-UHFFFAOYSA-N
SMILES:
Cn1c(SCC)nc(cc1=O)Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.672g/mol
Monoisotopic Mass:
204.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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