Basic information
- CAS
74789-30-3- Standard SMILES
CC(C)COC(=O)CSCSP(C)(=O)OCC(C)C- InChIKey
COZCQXZKDYIDOF-UHFFFAOYSA-N- Molecular formula
- C12H25O4PS2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.09318862
Names & identifiers
- Preferred name
- 2-Methylpropyl 6,9-dimethyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphadecan-1-oate
- IUPAC
- 2-methylpropyl 2-[[methyl(2-methylpropoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
74789-30-3DTXSID909963072-Methylpropyl 6,9-dimethyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphadecan-1-oateRefChem:1063859DTXCID901423325Acetic acid, 2-(mercaptomethylthio)-, isobutyl ester, S-ester with O-isobutyl methylphosphonothioate
Database identifiers
- CAS
74789-30-3- PubChem CID
- 53121
- DTXSID
DTXSID90996307
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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