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20166-38-5 | 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-[(methylthio)methyl]-
CAS No: 20166-38-5 Catalog No: AG002DK3 MDL No:
Product Description
Catalog Number:
AG002DK3
Chemical Name:
4-Pyridinemethanol, 3-hydroxy-2-methyl-5-[(methylthio)methyl]-
CAS Number:
20166-38-5
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
4-(hydroxymethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol
InChI:
InChI=1S/C9H13NO2S/c1-6-9(12)8(4-11)7(3-10-6)5-13-2/h3,11-12H,4-5H2,1-2H3
InChI Key:
YZCFCAJTKKMAAN-UHFFFAOYSA-N
SMILES:
CSCc1cnc(c(c1CO)O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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