1,3-Dithiolane, 2-mesityl-
Basic information
- CAS
41159-04-0- Standard SMILES
Cc1cc(C)c(C2SCCS2)c(C)c1- InChIKey
BZIGZWMJTGUUDI-UHFFFAOYSA-N- Molecular formula
- C12H16S2
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-mesityl-
- IUPAC
- 2-(2,4,6-trimethylphenyl)-1,3-dithiolane
- English name
- 1,3-Dithiolane, 2-(2,4,6-trimethylphenyl)-
- Molecular formula
- C12H16S2
- Molecular weight
- 224.39
Names & synonyms
2-Mesityl-1,3-dithiolane41159-04-01,3-DITHIOLANE, 2-MESITYL-BRN 5739852DTXSID20194091RefChem:219190DTXCID301165822-(2,4,6-trimethylphenyl)-1,3-dithiolaneAKOS024321211AL-182/116250131,3-Dithiolane, 2-(2,4,6-trimethylphenyl)-
Database identifiers
- CAS
41159-04-0- PubChem CID
- 38771
- DTXSID
DTXSID20194091- Nikkaji
- J91.165H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 359.6 · 359.6±42.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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