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1671-08-5 | 4(3H)-Pyrimidinone, 5-methoxy-2-(methylthio)-
CAS No: 1671-08-5 Catalog No: AG001X4W MDL No:MFCD26935425
Product Description
Catalog Number:
AG001X4W
Chemical Name:
4(3H)-Pyrimidinone, 5-methoxy-2-(methylthio)-
CAS Number:
1671-08-5
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD26935425
IUPAC Name:
5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H8N2O2S/c1-10-4-3-7-6(11-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
InChI Key:
PCFMDDLVLHIRNK-UHFFFAOYSA-N
SMILES:
COc1cnc([nH]c1=O)SC
NSC Number:
9316
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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