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111625-28-6 | Ethanol, 2-(2-pyridinyldithio)-
CAS No: 111625-28-6 Catalog No: AG0039B5 MDL No:
Product Description
Catalog Number:
AG0039B5
Chemical Name:
Ethanol, 2-(2-pyridinyldithio)-
CAS Number:
111625-28-6
Molecular Formula:
C7H9NOS2
Molecular Weight:
187.2825
IUPAC Name:
2-(pyridin-2-yldisulfanyl)ethanol
InChI:
InChI=1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2
InChI Key:
PORTXTUJPQINJC-UHFFFAOYSA-N
SMILES:
OCCSSc1ccccn1
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.275g/mol
Monoisotopic Mass:
187.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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