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Basic information
- CAS
67810-92-8- Standard SMILES
Cc1ccccc1C1SCCS1- InChIKey
SODQYAOEKCMRBY-UHFFFAOYSA-N- Molecular formula
- C10H12S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.03804273
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(o-tolyl)-
- IUPAC
- 2-(2-methylphenyl)-1,3-dithiolane
- English name
- 2-(o-Tolyl)-1,3-dithiolane
- Molecular formula
- C10H12S2
- Molecular weight
- 196.33
Names & synonyms
2-(o-Tolyl)-1,3-dithiolane1,3-DITHIOLANE, 2-(o-TOLYL)-BRN 13681091,3-Dithiolane, 2-(2-methylphenyl)-67810-92-8DTXSID00218062RefChem:219181DTXCID201405532-(2-methylphenyl)-1,3-dithiolaneSCHEMBL7753619
Database identifiers
- CAS
67810-92-8- PubChem CID
- 49983
- DTXSID
DTXSID00218062- Nikkaji
- J76.260A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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