Basic information
- CAS
100479-74-1- Standard SMILES
Cc1cc(C)c(SSc2c(C)cc(C)c(C)c2O)c(O)c1C- InChIKey
UVGUSUJWSFNMPG-UHFFFAOYSA-N- Molecular formula
- C18H22O2S2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.10612229
Names & identifiers
- Preferred name
- 2,2'-Disulfanediylbis(3,5,6-trimethylphenol)
- IUPAC
- 2-[(2-hydroxy-3,4,6-trimethylphenyl)disulfanyl]-3,5,6-trimethylphenol
Names & synonyms
DTXSID2012793312,2'-Disulfanediylbis(3,5,6-trimethylphenol)Phenol, 2,2a(2)-dithiobis[3,5,6-trimethyl-100479-74-1
Database identifiers
- CAS
100479-74-1- PubChem CID
- 85520195
- DTXSID
DTXSID201279331
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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