2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
Basic information
- CAS
74789-26-7- Standard SMILES
CCOP(C)(=O)SCSCC(=O)OCC(C)C- InChIKey
GHJWTYNHMYSYQS-UHFFFAOYSA-N- Molecular formula
- C10H21O4PS2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.06188849
Names & identifiers
- Preferred name
- 2-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oate
- IUPAC
- 2-methylpropyl 2-[[ethoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Names & synonyms
74789-26-7DTXSID509963032-Methylpropyl 4-methyl-4-oxo-3-oxa-5,7-dithia-4lambda~5~-phosphanonan-9-oateRefChem:1063858DTXCID101423321Acetic acid, 2-(mercaptomethylthio)-, isobutyl ester, S-ester with O-ethyl methylphosphonothioate
Database identifiers
- CAS
74789-26-7- PubChem CID
- 53117
- DTXSID
DTXSID50996303
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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