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Home > Pyridines > 138311-91-8
138311-91-8 | Ethanethioic acid, S-(4-pyridinylmethyl) ester
CAS No: 138311-91-8 Catalog No: AG01DNE8 MDL No:MFCD26960645
Product Description
Catalog Number:
AG01DNE8
Chemical Name:
Ethanethioic acid, S-(4-pyridinylmethyl) ester
CAS Number:
138311-91-8
MDL Number:
MFCD26960645
IUPAC Name:
O-(pyridin-4-ylmethyl) ethanethioate
InChI:
InChI=1S/C8H9NOS/c1-7(11)10-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
InChI Key:
OQHZNAQPACAFMT-UHFFFAOYSA-N
Properties
Complexity:
132
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:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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