Basic information
- CAS
68640-58-4- Standard SMILES
CCOC(=O)CSCSP(=O)(OCC)OCC- InChIKey
XGZNJXJOSSUDID-UHFFFAOYSA-N- Molecular formula
- C9H19O5PS2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.04115305
Names & identifiers
- Preferred name
- Acetic acid, 2-((mercaptomethyl)thio)-, ethyl ester, S-ester with diethyl phosphorothioate
- IUPAC
- ethyl 2-(diethoxyphosphorylsulfanylmethylsulfanyl)acetate
Names & synonyms
68640-58-4Acetic acid, ((((diethoxyphosphinyl)thio)methyl)thio)-, ethyl ester2-((Mercaptomethyl)thio)acetic acid ethyl ester S-ester with diethyl phosphorothioateAcetic acid, 2-((mercaptomethyl)thio)-, ethyl ester, S-ester with diethyl phosphorothioateDTXSID70218731RefChem:316411DTXCID20141222Ethyl 4-ethoxy-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
Database identifiers
- CAS
68640-58-4- PubChem CID
- 198516
- DTXSID
DTXSID70218731- Nikkaji
- J71.010E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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