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329226-32-6 | 6-methyl-2-[(4-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone
CAS No: 329226-32-6 Catalog No: AG01FOQC MDL No:
Product Description
Catalog Number:
AG01FOQC
Chemical Name:
6-methyl-2-[(4-methylbenzyl)sulfanyl]-4(3H)-pyrimidinone
CAS Number:
329226-32-6
IUPAC Name:
4-methyl-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
InChI:
InChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)8-17-13-14-10(2)7-12(16)15-13/h3-7H,8H2,1-2H3,(H,14,15,16)
InChI Key:
PQWDRHSDZGPZMY-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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