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116762-41-5 | Phosphonamidothioic acid, N-(1,1-dimethylethyl)-P-phenyl-
CAS No: 116762-41-5 Catalog No: AG000D7L MDL No:
Product Description
Catalog Number:
AG000D7L
Chemical Name:
Phosphonamidothioic acid, N-(1,1-dimethylethyl)-P-phenyl-
CAS Number:
116762-41-5
Molecular Formula:
C10H16NOPS
Molecular Weight:
229.2789
IUPAC Name:
N-[hydroxy(phenyl)phosphinothioyl]-2-methylpropan-2-amine
InChI:
InChI=1S/C10H16NOPS/c1-10(2,3)11-13(12,14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,11,12,14)
InChI Key:
ZFSHHMZQYNWQJU-UHFFFAOYSA-N
SMILES:
CC(NP(=S)(c1ccccc1)O)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.278g/mol
Monoisotopic Mass:
229.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| The intermediacy of metathiophosphonate PhPSO in the reaction of N-tert-butyl-P-phenylphosphonamidothioic acid with alcohols. | The Journal of organic chemistry 20050121 |
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