Basic information
- CAS
1068-13-9- Standard SMILES
CCOC(=O)CSP(=S)(OC)OC- InChIKey
PRVILYHTKPODNZ-UHFFFAOYSA-N- Molecular formula
- C6H13O4PS2
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 243.99928824
Names & identifiers
- Preferred name
- Acetic acid, ((dimethoxyphosphinothioyl)thio)-, ethyl ester
- IUPAC
- ethyl 2-dimethoxyphosphinothioylsulfanylacetate
Names & synonyms
Methylacethion1068-13-9Acetic acid, ((dimethoxyphosphinothioyl)thio)-, ethyl ester (9CI)BRN 1874327Ethyl mercaptoacetate-O,O-dimethylphosphorodithioateDTXSID90147771Acetic acid, ((dimethoxyphosphinothioyl)thio)-, ethyl esterACETIC ACID, MERCAPTO-, ETHYL ESTER, S-ESTER with O,O-DIMETHYLPHOSPHORODITHIOATEAcetic acid, mercapto-, S-ester with O,O-dimethyl phosphorodithioate, ethyl esterRefChem:316082DTXCID7070262Acetic acid, mercapto-, S-ester with O,O-dimethyl phosphorodithioate, ethyl ester (6CI)
Show more names
ethyl 2-dimethoxyphosphinothioylsulfanylacetateEthyl 2-((dimethoxyphosphorothioyl)thio)acetateAcetic acid,2-[(dimethoxyphosphinothioyl)thio]-,ethyl esterstarbld0044256ethyl [(dimethoxyphosphorothioyl)sulfanyl]acetate
Database identifiers
- CAS
1068-13-9- PubChem CID
- 14035
- DTXSID
DTXSID90147771- Nikkaji
- J3.162.028G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…