Basic information
- CAS
17041-81-5- Standard SMILES
Cc1ccc(SS(=O)(=O)c2ccccc2)cc1- InChIKey
GELXBJUSJVWYSU-UHFFFAOYSA-N- Molecular formula
- C13H12O2S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.02787197
Names & identifiers
- Preferred name
- S-(4-Methylphenyl) benzenesulfonothioate
- IUPAC
- 1-(benzenesulfonylsulfanyl)-4-methylbenzene
Names & synonyms
S-(4-methylphenyl) benzenesulfonothioateDTXSID8049527317041-81-5RefChem:379462DTXCID80446083p-Tolyl benzenethiosulfonateSCHEMBL112901371-(benzenesulfonylsulfanyl)-4-methylbenzene
Database identifiers
- CAS
17041-81-5- PubChem CID
- 12378424
- DTXSID
DTXSID80495273- Nikkaji
- J1.729.402D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…