Basic information
- CAS
7780-33-8- Standard SMILES
CCNP(=S)(OC)Oc1ccc(C(C)(C)C)cc1Cl- InChIKey
VQRMLSCAJOMIHI-UHFFFAOYSA-N- Molecular formula
- C13H21ClNO2PS
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.0719148
Names & identifiers
- Preferred name
- Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester
- IUPAC
- N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphinothioyl]ethanamine
- English name
- DOWCO105
- Molecular weight
- 0
Names & synonyms
7780-33-8Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl esterRefChem:1095321Dowco 105BRN 3381656O-4-t-Butyl-2-chlorophenyl O-methyl ethylphosphoramidothioateDTXSID70999018O-(4-tert-Butyl-2-chlorophenyl) O-methyl N-ethylphosphoramidothioateDOWCO105Enavogliflozin Impurity 3N-Ethylphosphoramidothioic acid O-(4-tert-butyl-2-chlorophenyl)O-methyl ester
Database identifiers
- CAS
7780-33-8- PubChem CID
- 82207
- DTXSID
DTXSID70999018- Nikkaji
- J50.359B
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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