Basic information
- CAS
29627-34-7- Standard SMILES
Cc1ccc(SSc2ccccc2)cc1- InChIKey
LZJJAJHNIUBUFA-UHFFFAOYSA-N- Molecular formula
- C13H12S2
- Average molar mass
- 232.4 g/mol
- Monoisotopic mass
- 232.03804273
Names & identifiers
- Preferred name
- Disulfide, 4-methylphenyl phenyl
- IUPAC
- 1-methyl-4-(phenyldisulfanyl)benzene
Names & synonyms
Disulfide, 4-methylphenyl phenyl29627-34-7DTXSID00453072RefChem:339203DTXCID604038911-METHYL-4-(PHENYLDISULFANYL)BENZENESCHEMBL3885250
Database identifiers
- CAS
29627-34-7- PubChem CID
- 11042628
- DTXSID
DTXSID00453072- Nikkaji
- J510.819E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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