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88579-43-5 | Pyrimidine, 4,6-dimethyl-2-[(3-pyridinylmethyl)thio]-
CAS No: 88579-43-5 Catalog No: AG004DLC MDL No:
Product Description
Catalog Number:
AG004DLC
Chemical Name:
Pyrimidine, 4,6-dimethyl-2-[(3-pyridinylmethyl)thio]-
CAS Number:
88579-43-5
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
4,6-dimethyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidine
InChI:
InChI=1S/C12H13N3S/c1-9-6-10(2)15-12(14-9)16-8-11-4-3-5-13-7-11/h3-7H,8H2,1-2H3
InChI Key:
HRWWLLDXKLCTAX-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)SCc1cccnc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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