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140128-04-7 | Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester
CAS No: 140128-04-7 Catalog No: AG001C23 MDL No:
Product Description
Catalog Number:
AG001C23
Chemical Name:
Ethanethioic acid, S-[(2-pyridinylthio)methyl] ester
CAS Number:
140128-04-7
Molecular Formula:
C8H9NOS2
Molecular Weight:
199.2932
IUPAC Name:
S-(pyridin-2-ylsulfanylmethyl) ethanethioate
InChI:
InChI=1S/C8H9NOS2/c1-7(10)11-6-12-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChI Key:
ROMCSXIFYLATJV-UHFFFAOYSA-N
SMILES:
CC(=O)SCSc1ccccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.286g/mol
Monoisotopic Mass:
199.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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