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35250-75-0 | Ethanethioic acid, S-(2-pyridinylmethyl) ester
CAS No: 35250-75-0 Catalog No: AG00I6ZO MDL No:MFCD02755520
Product Description
Catalog Number:
AG00I6ZO
Chemical Name:
Ethanethioic acid, S-(2-pyridinylmethyl) ester
CAS Number:
35250-75-0
MDL Number:
MFCD02755520
IUPAC Name:
S-(pyridin-2-ylmethyl) ethanethioate
InChI:
InChI=1S/C8H9NOS/c1-7(10)11-6-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChI Key:
IKYQQBVQQYNQJH-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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