Basic information
- CAS
72720-12-8- Standard SMILES
CCCCCOP(C)(=O)SCSCC(=O)OC- InChIKey
XNQHFBHLSFWHSI-UHFFFAOYSA-N- Molecular formula
- C10H21O4PS2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.06188849
Names & identifiers
- Preferred name
- Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-pentyl methylphosphonothioate
- IUPAC
- methyl 2-[[methyl(pentoxy)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
72720-12-8Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-pentyl methylphosphonothioateRefChem:1075738DTXSID70993536Methyl 6-methyl-6-oxo-7-oxa-3,5-dithia-6lambda~5~-phosphadodecan-1-oate
Database identifiers
- CAS
72720-12-8- PubChem CID
- 51673
- DTXSID
DTXSID70993536
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…