Basic information
- CAS
17649-90-0- Standard SMILES
CSC(SC)=C1CCCCC1=O- InChIKey
GSUKOSRJPRYQQX-UHFFFAOYSA-N- Molecular formula
- C9H14OS2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.04860741
Names & identifiers
- Preferred name
- 2-(Bis(methylsulfanyl)methylene)cyclohexanone
- IUPAC
- 2-[bis(methylsulfanyl)methylidene]cyclohexan-1-one
Names & synonyms
2-[Bis(methylsulfanyl)methylene]cyclohexanone17649-90-0DTXSID403454222-(Bis(methylsulfanyl)methylene)cyclohexanoneRefChem:253291DTXCID90296495GSUKOSRJPRYQQX-UHFFFAOYSA-NCyclohexanone, 2-[bis(methylthio)methylene]-2-[bis(methylsulfanyl)methylidene]cyclohexan-1-oneSCHEMBL11016586AKOS0159068722-bis(methylthio)methylenecyclo-hexanone
Show more names
2-[bis(methylsulfanyl)-methylene]-cyclohexan-1-one
Database identifiers
- CAS
17649-90-0- PubChem CID
- 604396
- DTXSID
DTXSID40345422- Nikkaji
- J371.766F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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