Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
Basic information
- CAS
34491-12-8- Standard SMILES
CCSP(=O)(CCl)SCC- InChIKey
GOKBBGQRNIGSLG-UHFFFAOYSA-N- Molecular formula
- C5H12ClOPS2
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 217.975572
Names & identifiers
- Preferred name
- Phosphonodithioic acid, chloromethyl-, S,S-diethyl ester
- IUPAC
- 1-[chloromethyl(ethylsulfanyl)phosphoryl]sulfanylethane
Names & synonyms
Chemagro 5461Chemagro R-546134491-12-8Phosphonodithioic acid, chloromethyl-, S,S-diethyl esterR-5461ENT 27,267Bis(diethylthio)chloromethyl phosphonateBRN 2077318S,S-Diethyl(chloromethyl)phosphonodithioateDTXSID10188045RefChem:370675DTXCID40110536
Show more names
S,S-diethyl (chloromethyl)phosphonodithioatePhosphonodithioic acid, P-(chloromethyl)-, S,S-diethyl ester
Database identifiers
- CAS
34491-12-8- PubChem CID
- 118698
- DTXSID
DTXSID10188045- Nikkaji
- J34.638A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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