Methyl 3-[(dimethoxyphosphorothioyl)oxy]but-2-enoate
Basic information
- CAS
19942-72-4- Standard SMILES
COC(=O)C=C(C)OP(=S)(OC)OC- InChIKey
MPJXOCZLOJIEBE-UHFFFAOYSA-N- Molecular formula
- C7H13O5PS
- Average molar mass
- 240.22 g/mol
- Monoisotopic mass
- 240.02213168
Names & identifiers
- Preferred name
- Methyl 3-[(dimethoxyphosphorothioyl)oxy]but-2-enoate
- IUPAC
- methyl 3-dimethoxyphosphinothioyloxybut-2-enoate
Names & synonyms
Methyl 3-[(dimethoxyphosphorothioyl)oxy]but-2-enoateDTXSID40941847
Database identifiers
- CAS
19942-72-4- PubChem CID
- 29250
- DTXSID
DTXSID40941847
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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