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59020-97-2 | Ethanethioic acid, S-[2-(2-pyridinyl)ethyl] ester
CAS No: 59020-97-2 Catalog No: AG00EAJW MDL No:
Product Description
Catalog Number:
AG00EAJW
Chemical Name:
Ethanethioic acid, S-[2-(2-pyridinyl)ethyl] ester
CAS Number:
59020-97-2
IUPAC Name:
S-(2-pyridin-2-ylethyl) ethanethioate
InChI:
InChI=1S/C9H11NOS/c1-8(11)12-7-5-9-4-2-3-6-10-9/h2-4,6H,5,7H2,1H3
InChI Key:
GQKZOZKLFVDOSD-UHFFFAOYSA-N
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.253g/mol
Monoisotopic Mass:
181.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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