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88570-37-0 | 4(1H)-Pyrimidinone, 5,6-dimethyl-2-[3-(methylthio)propyl]-
CAS No: 88570-37-0 Catalog No: AG004DMB MDL No:
Product Description
Catalog Number:
AG004DMB
Chemical Name:
4(1H)-Pyrimidinone, 5,6-dimethyl-2-[3-(methylthio)propyl]-
CAS Number:
88570-37-0
Molecular Formula:
C10H16N2OS
Molecular Weight:
212.3118
IUPAC Name:
4,5-dimethyl-2-(3-methylsulfanylpropyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H16N2OS/c1-7-8(2)11-9(12-10(7)13)5-4-6-14-3/h4-6H2,1-3H3,(H,11,12,13)
InChI Key:
NQDLDMIQGRIORG-UHFFFAOYSA-N
SMILES:
CSCCCc1nc(=O)c(c([nH]1)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.311g/mol
Monoisotopic Mass:
212.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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