1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
Basic information
- CAS
100059-87-8- Standard SMILES
CC1CSC(C)(c2ccccc2)S1- InChIKey
ZPDBKZPLBNMXGB-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
- IUPAC
- 2,4-dimethyl-2-phenyl-1,3-dithiolane
Names & synonyms
2,4-Dimethyl-2-phenyl-1,3-dithiolaneBRN 00831881,3-DITHIOLANE, 2,4-DIMETHYL-2-PHENYL-DTXSID709051944-19-00-00236 (Beilstein Handbook Reference)RefChem:219165DTXCID101334302100059-87-8
Database identifiers
- CAS
100059-87-8- PubChem CID
- 57619
- DTXSID
DTXSID70905194- Nikkaji
- J91.154B
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
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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