Basic information
- CAS
52342-53-7- Standard SMILES
C=C1CSCC(=C)CSC1- InChIKey
LBHXTCFPXWDOLO-UHFFFAOYSA-N- Molecular formula
- C8H12S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.03804273
Names & identifiers
- Preferred name
- 3,7-Dimethylidene-1,5-dithiocane
- IUPAC
- 3,7-dimethylidene-1,5-dithiocane
Names & synonyms
3,7-Dimethylidene-1,5-dithiocane52342-53-7DTXSID90545556RefChem:272614DTXCID20496340SCHEMBL326907023,7-bis(methylene)-1,5-dithiocane
Database identifiers
- CAS
52342-53-7- PubChem CID
- 13635971
- DTXSID
DTXSID90545556
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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