Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
Basic information
- CAS
63233-91-0- Standard SMILES
CCOP(=S)(OCC)SCSCC(=O)OC- InChIKey
NKZTZILXRSAESO-UHFFFAOYSA-N- Molecular formula
- C8H17O4PS3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.00265954
Names & identifiers
- Preferred name
- Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioate
- IUPAC
- methyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)acetate
Names & synonyms
BRN 221560363233-91-0DTXSID702126183-Oxa-5,7-dithia-4-phosphanonan-9-oic acid, 4-ethoxy-, methyl ester, 4-sulfideRefChem:316415DTXCID00135109Acetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O-diethyl phosphorodithioateAcetic acid, 2-((mercaptomethyl)thio)-, methyl ester, S-ester with O,O- diethyl phosphorodithioateMethyl 4-ethoxy-4-sulfanylidene-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
Database identifiers
- CAS
63233-91-0- PubChem CID
- 198441
- DTXSID
DTXSID70212618- Nikkaji
- J71.012A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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