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Home > Other Building Blocks > 39083-15-3
39083-15-3 | "5-ethyl-6-methyl-2-sulfanyl-3,4-dihydropyrimidin-4-one"
CAS No: 39083-15-3 Catalog No: AG01FMRV MDL No:MFCD01677038
Product Description
Catalog Number:
AG01FMRV
Chemical Name:
"5-ethyl-6-methyl-2-sulfanyl-3,4-dihydropyrimidin-4-one"
CAS Number:
39083-15-3
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD01677038
IUPAC Name:
5-ethyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C7H10N2OS/c1-3-5-4(2)8-7(11)9-6(5)10/h3H2,1-2H3,(H2,8,9,10,11)
InChI Key:
UMBJMJGRRXHYBN-UHFFFAOYSA-N
SMILES:
Cc1nc(S)[nH]c(=O)c1CC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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