Basic information
- CAS
83521-80-6- Standard SMILES
Cc1ccc(C2SCC(C)S2)cc1- InChIKey
XBTKLPCVXRFQLT-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 4-Methyl-2-(4-methylphenyl)-1,3-dithiolane
- IUPAC
- 4-methyl-2-(4-methylphenyl)-1,3-dithiolane
Names & synonyms
4-methyl-2-(4-methylphenyl)-1,3-dithiolane83521-80-6DTXSID801003500RefChem:1071082DTXCID801430412BRN 55161824-Methyl-2-(p-tolyl)-1,3-dithiolane1,3-DITHIOLANE, 4-METHYL-2-(p-TOLYL)-
Database identifiers
- CAS
83521-80-6- PubChem CID
- 55022
- DTXSID
DTXSID801003500
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…