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Home > Pyridines > 121277-14-3
121277-14-3 | Ethanethioic acid, S-(3-pyridinylmethyl) ester
CAS No: 121277-14-3 Catalog No: AG00HG2E MDL No:MFCD02755519
Product Description
Catalog Number:
AG00HG2E
Chemical Name:
Ethanethioic acid, S-(3-pyridinylmethyl) ester
CAS Number:
121277-14-3
MDL Number:
MFCD02755519
IUPAC Name:
S-(pyridin-3-ylmethyl) ethanethioate
InChI:
InChI=1S/C8H9NOS/c1-7(10)11-6-8-3-2-4-9-5-8/h2-5H,6H2,1H3
InChI Key:
VEFLMRUZHJCHOS-UHFFFAOYSA-N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.226g/mol
Monoisotopic Mass:
167.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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