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Home > Pyridines > 189316-43-6
189316-43-6 | 1,2-Propanediol, 3-[(2(1H)-pyridinylidenemethyl)thio]-
CAS No: 189316-43-6 Catalog No: AG002I9X MDL No:
Product Description
Catalog Number:
AG002I9X
Chemical Name:
1,2-Propanediol, 3-[(2(1H)-pyridinylidenemethyl)thio]-
CAS Number:
189316-43-6
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
3-(1H-pyridin-2-ylidenemethylsulfanyl)propane-1,2-diol
InChI:
InChI=1S/C9H13NO2S/c11-5-9(12)7-13-6-8-3-1-2-4-10-8/h1-4,6,9-12H,5,7H2
InChI Key:
XSMBCGQATPRGRT-UHFFFAOYSA-N
SMILES:
OCC(CSC=c1cccc[nH]1)O
Properties
Complexity:
236
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:
3
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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