Basic information
- CAS
18596-51-5- Standard SMILES
CCOP(=S)(CC)SCOc1ccc(Cl)cc1Cl- InChIKey
ANDKQEZSSZZOHA-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2O2PS2
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 343.9628144
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl ester
- IUPAC
- (2,4-dichlorophenoxy)methylsulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
- English name
- Ethyldithiophosphonic acid S-[(2,4-dichlorophenoxy)methyl]=O-ethyl ester
- Molecular formula
- C11H15Cl2O2PS2
- Molecular weight
- 345.245361
Names & synonyms
Stauffer N-519618596-51-5ENT 27,298BRN 2057503N-5196Phosphonodithioic acid, ethyl-, S-((2,4-dichlorophenoxy)methyl) O-ethyl esterRefChem:370685S-((2,4-Dichlorophenoxy)methyl) O-ethyl ethylphosphonodithioates-[(2,4-dichlorophenoxy)methyl] o-ethyl ethylphosphonodithioate(2,4-dichlorophenoxy)methylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphaneEthyldithiophosphonic acid S-[(2,4-dichlorophenoxy)methyl]=O-ethyl esterDTXSID70940020
Database identifiers
- CAS
18596-51-5- PubChem CID
- 87717
- DTXSID
DTXSID70940020- Nikkaji
- J34.658F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…