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80191-91-9 | 2-{[(pyridin-2-yl)methyl]sulfanyl}ethan-1-ol
CAS No: 80191-91-9 Catalog No: AG01B6JH MDL No:MFCD02755201
Product Description
Catalog Number:
AG01B6JH
Chemical Name:
2-{[(pyridin-2-yl)methyl]sulfanyl}ethan-1-ol
CAS Number:
80191-91-9
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD02755201
IUPAC Name:
2-(pyridin-2-ylmethylsulfanyl)ethanol
InChI:
InChI=1S/C8H11NOS/c10-5-6-11-7-8-3-1-2-4-9-8/h1-4,10H,5-7H2
InChI Key:
JXIVUVCIBGRJQU-UHFFFAOYSA-N
SMILES:
OCCSCc1ccccn1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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