Basic information
- CAS
5902-52-3- Standard SMILES
COP(N)(=S)Oc1ccc(C(C)(C)C)cc1Cl- InChIKey
HAJQRNZSYDJREE-UHFFFAOYSA-N- Molecular formula
- C11H17ClNO2PS
- Average molar mass
- 293.75 g/mol
- Monoisotopic mass
- 293.0406147
Names & identifiers
- Preferred name
- Phosphoramidothioic acid, O-(2-chloro-4-(1,1-dimethylethyl)phenyl) O-methyl ester
- IUPAC
- 1-[amino(methoxy)phosphinothioyl]oxy-4-tert-butyl-2-chlorobenzene
- English name
- Narlene
- Molecular formula
- C11H17ClNO2PS
- Molecular weight
- 293.75
Names & synonyms
5902-52-3Phosphoramidothioic acid, O-(2-chloro-4-(1,1-dimethylethyl)phenyl) O-methyl esterRefChem:1095325NarleneDowco 109BRN 3351346AI3-24469O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothionatePhosphoramidothioic acid, methyl-, O-(tert-butyl-2-chlorophenyl) esterPhenol, 4-tert-butyl-2-chloro-, O-ester with O-methyl phosphoramidothioatePhosphoramidothioic acid, O-(4-tert-butyl-2-chlorophenyl) O-methyl esterSCHEMBL1877057
Show more names
Dowco-109Phosphoramidothioic acid O-(4-tert-butyl-2-chlorophenyl)O-methyl esterAmidothiophosphoric acid O-methyl O-(4-tert-butyl-2-chlorophenyl) esterPhosphoramidothioic acid, O-[2-chloro-4-(1,1-dimethylethyl)phenyl] O-methyl ester
SCHEMBL29472172DTXSID80974492O-(4-tert-Butyl-2-chlorophenyl) O-methyl phosphoramidothioate
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 351 · 351.0±52.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- -1.37 · -1.37±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…