Basic information
- CAS
72720-14-0- Standard SMILES
CCCCCCCCOP(C)(=O)SCSCC(=O)OC- InChIKey
BCYATZDLGYZPKA-UHFFFAOYSA-N- Molecular formula
- C13H27O4PS2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.10883868
Names & identifiers
- Preferred name
- Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oate
- IUPAC
- methyl 2-[[methyl(octoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
72720-14-0DTXSID90993538Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphapentadecan-1-oateRefChem:1089510DTXCID201420582Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-octyl methylphosphonothioate
Database identifiers
- CAS
72720-14-0- PubChem CID
- 51675
- DTXSID
DTXSID90993538
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…