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144581-28-2 | 3-Pyridinecarboxylic acid, 2-[[2-[(2-hydroxyethyl)thio]ethyl]thio]-
CAS No: 144581-28-2 Catalog No: AG001JS3 MDL No:
Product Description
Catalog Number:
AG001JS3
Chemical Name:
3-Pyridinecarboxylic acid, 2-[[2-[(2-hydroxyethyl)thio]ethyl]thio]-
CAS Number:
144581-28-2
Molecular Formula:
C10H13NO3S2
Molecular Weight:
259.3451
IUPAC Name:
2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H13NO3S2/c12-4-5-15-6-7-16-9-8(10(13)14)2-1-3-11-9/h1-3,12H,4-7H2,(H,13,14)
InChI Key:
BVCVURGJCBKFTD-UHFFFAOYSA-N
SMILES:
OCCSCCSc1ncccc1C(=O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.338g/mol
Monoisotopic Mass:
259.034g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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