Basic information
- CAS
138000-14-3- Standard SMILES
CCOC(=O)C(Br)SP(=O)(OCC)OCC- InChIKey
PVYKBPISKHZWPW-UHFFFAOYSA-N- Molecular formula
- C8H16BrO5PS
- Average molar mass
- 335.15 g/mol
- Monoisotopic mass
- 333.96394
Names & identifiers
- Preferred name
- Ethyl bromo[(diethoxyphosphoryl)sulfanyl]acetate
- IUPAC
- ethyl 2-bromo-2-diethoxyphosphorylsulfanylacetate
Names & synonyms
138000-14-3Ethyl bromo[(diethoxyphosphoryl)sulfanyl]acetateDTXSID50560341
Database identifiers
- CAS
138000-14-3- PubChem CID
- 14441069
- DTXSID
DTXSID50560341
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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