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88317-66-2 | Pyrimidine, 2-methyl-4,6-bis(methylsulfinyl)-
CAS No: 88317-66-2 Catalog No: AG0047XU MDL No:
Product Description
Catalog Number:
AG0047XU
Chemical Name:
Pyrimidine, 2-methyl-4,6-bis(methylsulfinyl)-
CAS Number:
88317-66-2
Molecular Formula:
C7H10N2O2S2
Molecular Weight:
218.2965
IUPAC Name:
2-methyl-4,6-bis(methylsulfinyl)pyrimidine
InChI:
InChI=1S/C7H10N2O2S2/c1-5-8-6(12(2)10)4-7(9-5)13(3)11/h4H,1-3H3
InChI Key:
DXYDGJCLHSXJRY-UHFFFAOYSA-N
SMILES:
Cc1nc(cc(n1)S(=O)C)S(=O)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.289g/mol
Monoisotopic Mass:
218.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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