Basic information
- CAS
287-53-6- Standard SMILES
C1SCS1- InChIKey
ITXACGPMGJCSKF-UHFFFAOYSA-N- Molecular formula
- C2H4S2
- Average molar mass
- 92.19 g/mol
- Monoisotopic mass
- 91.97544247
Names & identifiers
- Preferred name
- 1,3-Dithietane
- IUPAC
- 1,3-dithietane
Names & synonyms
1,3-Dithietane287-53-6DTXSID10182861RefChem:72834DTXCID50105352InChI=1/C2H4S2/c1-3-2-4-1/h1-2HITXACGPMGJCSKF-UHFFFAOYSA-N1,3-dithiacyclobutaneXQ54M93UBZSCHEMBL405263SCHEMBL721572Q4545686
Database identifiers
- CAS
287-53-6- PubChem CID
- 136129
- DTXSID
DTXSID10182861- UNII
- XQ54M93UBZ
- Nikkaji
- J827.117H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 12
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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