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126-75-0 | Phosphorothioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester
CAS No: 126-75-0 Catalog No: AG000QOP MDL No:MFCD00055359
Product Description
Catalog Number:
AG000QOP
Chemical Name:
Phosphorothioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester
CAS Number:
126-75-0
Molecular Formula:
C8H19O3PS2
Molecular Weight:
258.3384
MDL Number:
MFCD00055359
IUPAC Name:
1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
InChI:
InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChI Key:
GRPRVIYRYGLIJU-UHFFFAOYSA-N
SMILES:
CCSCCSP(=O)(OCC)OCC
EC Number:
204-801-8
UNII:
3UQ7N6O63K
RTECS Number:
TF3130000
UN Number:
3018
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.331g/mol
Monoisotopic Mass:
258.051g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Fifty years of the integrated control concept: moving the model and implementation forward in Arizona. | Pest management science 20091201 |
| Gas-phase mechanisms of degradation of hazardous organophosphorus compounds: do they follow a common pattern of alkaline hydrolysis reaction as in phosphotriesterase? | The journal of physical chemistry. B 20080814 |
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