Basic information
- CAS
20137-72-8- Standard SMILES
CC1(Cc2ccccc2)SCCS1- InChIKey
LNZSIRYZTYDEDF-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-benzyl-2-methyl-
- IUPAC
- 2-benzyl-2-methyl-1,3-dithiolane
Names & synonyms
2-Benzyl-2-methyl-1,3-dithiolane1,3-DITHIOLANE, 2-BENZYL-2-METHYL-BRN 134295820137-72-8DTXSID401739645-19-01-00482 (Beilstein Handbook Reference)1,3-Dithiolane, 2-methyl-2-(phenylmethyl)-RefChem:219183DTXCID8096455LNZSIRYZTYDEDF-UHFFFAOYSA-NSCHEMBL14002175
Database identifiers
- CAS
20137-72-8- PubChem CID
- 29969
- DTXSID
DTXSID40173964- Nikkaji
- J91.136D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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