Basic information
- CAS
60380-38-3- Standard SMILES
C1=CC=CC(C2SCCCS2)C=C1- InChIKey
LWSBWWAAYCMQBA-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 2-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithiane
- IUPAC
- 2-cyclohepta-2,4,6-trien-1-yl-1,3-dithiane
Names & synonyms
60380-38-3DTXSID905151132-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithianeRefChem:253594DTXCID70465920
Database identifiers
- CAS
60380-38-3- PubChem CID
- 13012012
- DTXSID
DTXSID90515113
Properties
Computed structural properties
- XLogP
- 4
- 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
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…