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16911-57-2 | Benzenecarbothioic acid, O-phenyl ester
CAS No: 16911-57-2 Catalog No: AG001YI0 MDL No:
Product Description
Catalog Number:
AG001YI0
Chemical Name:
Benzenecarbothioic acid, O-phenyl ester
CAS Number:
16911-57-2
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
IUPAC Name:
O-phenyl benzenecarbothioate
InChI:
InChI=1S/C13H10OS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H
InChI Key:
VEVLAFVFXLNSQU-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)Oc1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.282g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Steady-state, one-, and two-color laser flash photolysis studies of alpha-bond cleavage of S-acyl-4-phenylthiophenols in solution. | The journal of physical chemistry. A 20091119 |
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