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17321-48-1 | Phosphoramidothioic acid, O,O-diethyl ester
CAS No: 17321-48-1 Catalog No: AG001YPW MDL No:
Product Description
Catalog Number:
AG001YPW
Chemical Name:
Phosphoramidothioic acid, O,O-diethyl ester
CAS Number:
17321-48-1
Molecular Formula:
C4H12NO2PS
Molecular Weight:
169.1823
IUPAC Name:
[amino(ethoxy)phosphinothioyl]oxyethane
InChI:
InChI=1S/C4H12NO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H2,5,9)
InChI Key:
LAGRCNJEUAJJQC-UHFFFAOYSA-N
SMILES:
CCOP(=S)(OCC)N
EC Number:
241-343-8
NSC Number:
133031
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.179g/mol
Monoisotopic Mass:
169.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| An improved route to the synthetic of diphenyl alpha-(diethoxythiophosphorylamino)methylphosphonates. | Bioorganic chemistry 20060801 |
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