2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
Basic information
- CAS
5441-66-7- Standard SMILES
Cc1ccc(S(=O)(=O)OCCSCCCl)cc1- InChIKey
ZYALFRBDRSGXJM-UHFFFAOYSA-N- Molecular formula
- C11H15ClO3S2
- Average molar mass
- 294.8 g/mol
- Monoisotopic mass
- 294.0151144
Names & identifiers
- Preferred name
- 2-(2-Chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate
Names & synonyms
5441-66-72-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonateNSC20982DTXSID30281244Ethanol,2-[(2-chloroethyl)thio]-,1-(4-methylbenzenesulfonate)NSC 20982NSC-20982DS-0108612-[(2-Chloroethyl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
5441-66-7- PubChem CID
- 228233
- DTXSID
DTXSID30281244
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…