2-(4,4-Dimethylcyclohexylidene)-1,3-dithiane
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Basic information
- CAS
828271-16-5- Standard SMILES
CC1(C)CCC(=C2SCCCS2)CC1- InChIKey
BWQIZYILUOHQDF-UHFFFAOYSA-N- Molecular formula
- C12H20S2
- Average molar mass
- 228.4 g/mol
- Monoisotopic mass
- 228.10064264
Names & identifiers
- Preferred name
- 2-(4,4-Dimethylcyclohexylidene)-1,3-dithiane
- IUPAC
- 2-(4,4-dimethylcyclohexylidene)-1,3-dithiane
Names & synonyms
828271-16-52-(4,4-Dimethylcyclohexylidene)-1,3-dithianeSCHEMBL4861354DTXSID10740026BWQIZYILUOHQDF-UHFFFAOYSA-N2-(4,4-Dimethyl-cyclohexylidene)-[1,3]dithiane
Database identifiers
- CAS
828271-16-5- PubChem CID
- 69220596
- DTXSID
DTXSID10740026
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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Related reactions
2 records
Compound notes
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