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Home > Pyridines > 478031-30-0
478031-30-0 | 6-[(methylsulfanyl)methyl]-2-(pyridin-3-yl)pyrimidin-4-ol
CAS No: 478031-30-0 Catalog No: AG00IONZ MDL No:MFCD00794463
Product Description
Catalog Number:
AG00IONZ
Chemical Name:
6-[(methylsulfanyl)methyl]-2-(pyridin-3-yl)pyrimidin-4-ol
CAS Number:
478031-30-0
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
MDL Number:
MFCD00794463
IUPAC Name:
4-(methylsulfanylmethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H11N3OS/c1-16-7-9-5-10(15)14-11(13-9)8-3-2-4-12-6-8/h2-6H,7H2,1H3,(H,13,14,15)
InChI Key:
ZFHYHQZFXPSTER-UHFFFAOYSA-N
SMILES:
CSCc1cc(O)nc(n1)c1cccnc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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