Basic information
- CAS
2595-53-1- Standard SMILES
C=C(OP(=O)(OC)OC)Sc1ccc(Cl)cc1- InChIKey
GRILGJQNEPSNMX-UHFFFAOYSA-N- Molecular formula
- C10H12ClO4PS
- Average molar mass
- 294.69 g/mol
- Monoisotopic mass
- 293.9882447
Names & identifiers
- Preferred name
- Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester
- IUPAC
- 1-(4-chlorophenyl)sulfanylethenyl dimethyl phosphate
Names & synonyms
Shell SD-75872595-53-11-(p-Chlorophenylthio)vinyl dimethyl phosphateENT 25,816SD 7587BRN 2464491AI3-25816Phosphoric acid, 1-((p-chlorophenyl)thio)vinyl dimethyl ester1-((4-Chlorophenyl)thio)ethenyl dimethyl phosphateDTXSID10180620Phosphoric acid, 1-((4-chlorophenyl)thio)ethenyl dimethyl esterRefChem:370879
Show more names
DTXCID501031111-[(4-Chlorophenyl)sulfanyl]ethen-1-yl dimethyl phosphate1-[(4-Chlorophenyl)thio]ethenyl dimethyl ester phosphoric acid
Database identifiers
- CAS
2595-53-1- PubChem CID
- 75774
- DTXSID
DTXSID10180620- Nikkaji
- J50.375D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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