Benzene, 1,1'-thiobis[4-(methylthio)-
Basic information
- CAS
125877-23-8- Standard SMILES
CSc1ccc(Sc2ccc(SC)cc2)cc1- InChIKey
GQUSUMUJMZGXSS-UHFFFAOYSA-N- Molecular formula
- C14H14S3
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.02576397
Overview
See also: Rcl S20,381-5 (annotation moved to).
Names & identifiers
- Preferred name
- Benzene, 1,1'-thiobis[4-(methylthio)-
- IUPAC
- 1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
Names & synonyms
125877-23-81,1'-Sulfanediylbis[4-(methylsulfanyl)benzene]Benzene, 1,1'-thiobis[4-(methylthio)-ChemDiv3_000147SCHEMBL7033576DTXSID70353939HMS1473G151-(methylsulfanyl)-4-{[4-(methylsulfanyl)phenyl]sulfanyl}benzeneAKOS000727736IDI1_019465NCGC00177985-01NCGC00177985-02
Show more names
ST502164674-methylthio-1-(4-methylthiophenylthio)benzeneAB01330597-02SR-01000389211SR-01000389211-11-(methylthio)-4-{[4-(methylthio)phenyl]thio}benzene
Database identifiers
- CAS
125877-23-8- PubChem CID
- 759362
- DTXSID
DTXSID70353939- EC Number
- 103-034-5
- Nikkaji
- J1.125.653H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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