2-[Bis(methylsulfanyl)methylidene]-1-(2-methylprop-2-en-1-yl)cyclohexan-1-ol
Basic information
- CAS
90969-01-0- Standard SMILES
C=C(C)CC1(O)CCCCC1=C(SC)SC- InChIKey
NZOKZCFBFRVUFS-UHFFFAOYSA-N- Molecular formula
- C13H22OS2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.11120767
Names & identifiers
- Preferred name
- 2-[Bis(methylsulfanyl)methylidene]-1-(2-methylprop-2-en-1-yl)cyclohexan-1-ol
- IUPAC
- 2-[bis(methylsulfanyl)methylidene]-1-(2-methylprop-2-enyl)cyclohexan-1-ol
Names & synonyms
90969-01-0DTXSID905397782-[Bis(methylsulfanyl)methylidene]-1-(2-methylprop-2-en-1-yl)cyclohexan-1-ol
Database identifiers
- CAS
90969-01-0- PubChem CID
- 13406366
- DTXSID
DTXSID90539778
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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