Basic information
- CAS
55709-45-0- Standard SMILES
Cc1ccc(Sc2ccc(Sc3ccc(C)cc3)cc2)cc1- InChIKey
SSUIXBVCVWGZOL-UHFFFAOYSA-N- Molecular formula
- C20H18S2
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.08499292
Names & identifiers
- Preferred name
- 1,4-Bis(4-methylphenylthio)benzene
- IUPAC
- 1,4-bis[(4-methylphenyl)sulfanyl]benzene
- English name
- 1,4-Bis(4-methylphenylthio)benzene
- Molecular formula
- C20H18S2
- Molecular weight
- 322.49
Names & synonyms
1,4-Bis(4-methylphenylthio)benzene55709-45-0DTXSID40348019RefChem:220196DTXCID80299091SSUIXBVCVWGZOL-UHFFFAOYSA-N1,4-bis(p-tolylthio)benzeneSCHEMBL111218341,4-Bis[(4-methylphenyl)sulfanyl]benzene #1,1'-[1,4-Phenylenebis(sulfanediyl)]bis(4-methylbenzene)Benzene, 1,4-bis[(4-methylphenyl)thio]-
Database identifiers
- CAS
55709-45-0- PubChem CID
- 629482
- DTXSID
DTXSID40348019- Nikkaji
- J2.702.886A
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 285 °C · 285 °C(Press: 14 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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