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1889-58-3 | Phosphorothioic acid, O,O-diethyl S-phenyl ester
CAS No: 1889-58-3 Catalog No: AG002HHO MDL No:MFCD28010185
Product Description
Catalog Number:
AG002HHO
Chemical Name:
Phosphorothioic acid, O,O-diethyl S-phenyl ester
CAS Number:
1889-58-3
Molecular Formula:
C10H15O3PS
Molecular Weight:
246.2631
MDL Number:
MFCD28010185
IUPAC Name:
diethoxyphosphorylsulfanylbenzene
InChI:
InChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI Key:
GFWPLRWWFQJJOL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Sc1ccccc1)OCC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.261g/mol
Monoisotopic Mass:
246.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Environmentally benign synthesis and antimicrobial study of novel chalcogenophosphates. | Bioorganic & medicinal chemistry letters 20140501 |
| La3+-catalyzed methanolysis of O,O-diethyl S-(p-nitrophenyl) phosphorothioate and O,O-diethyl S-phenyl phosphorothioate. Millions-fold acceleration of the destruction of V-agent simulants. | Organic & biomolecular chemistry 20041207 |
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