Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
Basic information
- CAS
85366-02-5- Standard SMILES
CC(=O)SCC(CSC(C)=O)OS(=O)(=O)c1ccc(C)cc1- InChIKey
UYONYIDFTVVHJA-UHFFFAOYSA-N- Molecular formula
- C14H18O5S3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.03163719
Names & identifiers
- Preferred name
- Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
- IUPAC
- S-[3-acetylsulfanyl-2-(4-methylphenyl)sulfonyloxypropyl] ethanethioate
Names & synonyms
BRL 655BRN 512016385366-02-5ACETIC ACID, THIO-, S,S'-(2-HYDROXYTRIMETHYLENE) ESTER, p-TOLUENESULFONATE1,3-Dimercapto-2-propanol 1,3-diacetate 2-(p-toluenesulfonate)DTXSID202345422-Propanol, 1,3-dimercapto-, 1,3-diacetate 2-(p-toluenesulfonate)Ethanethioic acid, S,S'-(2-(((4-methylphenyl)sulfonyl)oxy)-1,3-propanediyl) esterRefChem:316694DTXCID501570332-Acetylthio-1-(acetylthiomethyl)ethyl 4-methylbenzenesulfonateS-[3-acetylsulfanyl-2-(p-tolylsulfonyloxy)propyl] ethanethioate
Show more names
S,S'-{2-[(4-Methylbenzene-1-sulfonyl)oxy]propane-1,3-diyl} diethanethioate
Database identifiers
- CAS
85366-02-5- PubChem CID
- 55328
- DTXSID
DTXSID20234542
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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