Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-methyl methylphosphonothioate
Basic information
- CAS
74789-22-3- Standard SMILES
COC(=O)CSCSP(C)(=O)OC- InChIKey
SKDFMOMSRVTQEW-UHFFFAOYSA-N- Molecular formula
- C6H13O4PS2
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 243.99928824
Names & identifiers
- Preferred name
- Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-methyl methylphosphonothioate
- IUPAC
- methyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
74789-22-3Acetic acid, 2-(mercaptomethylthio)-, methyl ester, S-ester with O-methyl methylphosphonothioateRefChem:1075737DTXSID70996300Methyl 3-methyl-3-oxo-2-oxa-4,6-dithia-3lambda~5~-phosphaoctan-8-oate
Database identifiers
- CAS
74789-22-3- PubChem CID
- 53114
- DTXSID
DTXSID70996300
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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