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89466-43-3 | 4(3H)-Pyrimidinone,6-chloro-3-methyl-2-(methylthio)-
CAS No: 89466-43-3 Catalog No: AG0042AJ MDL No:MFCD00666950
Product Description
Catalog Number:
AG0042AJ
Chemical Name:
4(3H)-Pyrimidinone,6-chloro-3-methyl-2-(methylthio)-
CAS Number:
89466-43-3
Molecular Formula:
C6H7ClN2OS
Molecular Weight:
190.6506
MDL Number:
MFCD00666950
IUPAC Name:
6-chloro-3-methyl-2-methylsulfanylpyrimidin-4-one
InChI:
InChI=1S/C6H7ClN2OS/c1-9-5(10)3-4(7)8-6(9)11-2/h3H,1-2H3
InChI Key:
XRWGAJTXSJEBGR-UHFFFAOYSA-N
SMILES:
CSc1nc(Cl)cc(=O)n1C
NSC Number:
355516
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.997g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.645g/mol
Monoisotopic Mass:
189.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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