Basic information
- CAS
74789-24-5- Standard SMILES
CCOP(C)(=O)SCSCC(=O)OC- InChIKey
CCDSSZNHINXYKX-UHFFFAOYSA-N- Molecular formula
- C7H15O4PS2
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.0149383
Names & identifiers
- Preferred name
- Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-ethyl methylphosphonothioate
- IUPAC
- methyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
74789-24-5Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-ethyl methylphosphonothioateRefChem:1075736NIOSH/TB1125000TB11250000O-Ethyl S-(((methoxycarbonyl)methyl)thio)methyl methylphosphonothioateAcetic acid, mercaptomethylthio-, methyl ester, ester with O-ethyl methylphosphonothioatePhosphonothioic acid, methyl-, O-ethyl S-(((methoxycarbonyl)methyl)thio)methyl esterDTXSID30996301Methyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
Database identifiers
- CAS
74789-24-5- PubChem CID
- 53115
- DTXSID
DTXSID30996301
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…