Basic information
- CAS
2595-51-9- Standard SMILES
C=C(OP(=O)(OCC)OCC)SCc1ccccc1- InChIKey
APAPIGZYKSCALO-UHFFFAOYSA-N- Molecular formula
- C13H19O4PS
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.07416725
Names & identifiers
- Preferred name
- Phosphoric acid, (1-(benzylthio)vinyl) diethyl ester
- IUPAC
- 1-benzylsulfanylethenyl diethyl phosphate
- English name
- Phosphoric acid diethyl 1-(benzylthio)ethenyl ester
- Molecular formula
- C13H19O4PS
- Molecular weight
- 302.33
Names & synonyms
Shell SD-75652595-51-9ENT 25,815SD 7565BRN 2986129Phosphoric acid, diethyl 1-((phenylmethyl)thio)ethenyl esterAI3-25815Phosphoric acid, (1-(benzylthio)vinyl) diethyl esterDiethyl 1-((phenylmethyl)thio)ethenyl phosphateDTXSID40180618RefChem:370870DTXCID80103109
Show more names
SD-7565ENT-25815Phosphoric acid, diethyl 1-[(phenylmethyl)thio]ethenyl ester
Phosphoric acid diethyl 1-(benzylthio)ethenyl ester1-(Benzylsulfanyl)ethen-1-yl diethyl phosphateDiethyl 1-[(phenylmethyl)thio]ethenyl ester phosphoric acid
Database identifiers
- CAS
2595-51-9- PubChem CID
- 75773
- DTXSID
DTXSID40180618- Nikkaji
- J50.374F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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