2-(2-Methylphenyl)-1,3-dithiane
Basic information
- CAS
56637-46-8- Standard SMILES
Cc1ccccc1C1SCCCS1- InChIKey
ZQGJMYWTHIUNBD-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 2-(2-Methylphenyl)-1,3-dithiane
- IUPAC
- 2-(2-methylphenyl)-1,3-dithiane
- English name
- 2-(2-methylphenyl)-1,3-dithiane
- Molecular formula
- C11H14S2
- Molecular weight
- 210.36
Names & synonyms
2-(2-methylphenyl)-1,3-dithiane56637-46-82-(o-Tolyl)-m-dithianem-Dithiane, 2-(o-tolyl)-NIOSH/JO5292000JO52920000NSC174719SCHEMBL26108908DTXSID00306236AKOS024321218NSC-174719AL-182/11625001
Show more names
1,3-Dithiane, 2-(2-methylphenyl)-
Database identifiers
- CAS
56637-46-8- PubChem CID
- 300355
- DTXSID
DTXSID00306236- Nikkaji
- J3.637.843C
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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