2,6-Xylyl 3,4-xylyl disulfide
Basic information
- CAS
65104-33-8- Standard SMILES
Cc1ccc(SSc2c(C)cccc2C)cc1C- InChIKey
OZWDRTMANSFLHH-UHFFFAOYSA-N- Molecular formula
- C16H18S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.08499292
Names & identifiers
- Preferred name
- 2,6-Xylyl 3,4-xylyl disulfide
- IUPAC
- 2-[(3,4-dimethylphenyl)disulfanyl]-1,3-dimethylbenzene
- English name
- 2,6-xylyl 3,4-xylyl disulphide
- Molecular formula
- C16H18S2
- Molecular weight
- 274.44
Names & synonyms
2,6-Xylyl 3,4-xylyl disulfideDisulfide, 2,6-dimethylphenyl 3,4-dimethylphenyl65104-33-8S198JWN7XGEINECS 265-414-8DTXSID7070210RefChem:445875DTXCID6044482UNII-S198JWN7XG2-[(3,4-dimethylphenyl)disulfanyl]-1,3-dimethylbenzeneOZWDRTMANSFLHH-UHFFFAOYSA-N2,6-Xylyl 3,4-xylyl disulphide
Show more names
2,6-Dimethylphenyl(3,4-dimethylphenyl) persulfide
NS00035805Q27896453
Database identifiers
- CAS
65104-33-8- PubChem CID
- 103185
- DTXSID
DTXSID7070210- UNII
- S198JWN7XG
- EC Number
- 265-414-8
- Nikkaji
- J286.671D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 369 · 369.0±42.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- FDA UNII
- 198 JWN7XG · S198JWN7XG
- EPA Substance Registry System
- 2 · Disulfide, 2,6-dimethylphenyl 3,4-dimethylphenyl (65104-33-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDisulfide, 2,6-dimethylphenyl 3,4-dimethylphenyl: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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