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Home > Pyridines > 1105191-20-5
1105191-20-5 | 5-METHOXY-2-([(4-METHYL-1,3-THIAZOL-2-YL)THIO]METHYL)PYRIDIN-4-OL
CAS No: 1105191-20-5 Catalog No: AG01AQIG MDL No:MFCD16653140
Product Description
Catalog Number:
AG01AQIG
Chemical Name:
5-METHOXY-2-([(4-METHYL-1,3-THIAZOL-2-YL)THIO]METHYL)PYRIDIN-4-OL
CAS Number:
1105191-20-5
Molecular Formula:
C11H12N2O2S2
Molecular Weight:
268.3552
MDL Number:
MFCD16653140
IUPAC Name:
5-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyridin-4-one
InChI:
InChI=1S/C11H12N2O2S2/c1-7-5-16-11(13-7)17-6-8-3-9(14)10(15-2)4-12-8/h3-5H,6H2,1-2H3,(H,12,14)
InChI Key:
WHKUQLLLSYNWLW-UHFFFAOYSA-N
SMILES:
COc1cnc(cc1O)CSc1scc(n1)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.349g/mol
Monoisotopic Mass:
268.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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