Basic information
- CAS
41159-08-4- Standard SMILES
Cc1ccc(C2(C)SCCS2)cc1- InChIKey
NGKHBJGPSIJYFU-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-methyl-2-(p-tolyl)-
- IUPAC
- 2-methyl-2-(4-methylphenyl)-1,3-dithiolane
Names & synonyms
2-Methyl-2-(p-tolyl)-1,3-dithiolaneBRN 43096641,3-DITHIOLANE, 2-METHYL-2-(p-TOLYL)-41159-08-4DTXSID40194093RefChem:219192DTXCID501165842-methyl-2-(4-methylphenyl)-1,3-dithiolaneSCHEMBL2084258
Database identifiers
- CAS
41159-08-4- PubChem CID
- 38773
- DTXSID
DTXSID40194093- Nikkaji
- J91.187I
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…