Basic information
- CAS
102585-58-0- Standard SMILES
CCCCOC(=O)CSCSP(C)(=O)OC- InChIKey
IEDWEXVGQOCECJ-UHFFFAOYSA-N- Molecular formula
- C9H19O4PS2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.04623843
Names & identifiers
- Preferred name
- Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate
- IUPAC
- butyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
102585-58-0DTXSID80907866Butyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oateRefChem:1080370DTXCID301336954Acetic acid, 2-(mercaptomethylthio)-, butyl ester, S-ester with O-methyl methylphosphonothioate
Database identifiers
- CAS
102585-58-0- PubChem CID
- 59615
- DTXSID
DTXSID80907866
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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