Basic information
- CAS
5179-85-1- Standard SMILES
C[S+]1CCSCC1- InChIKey
KGZIOZNPZUSXFD-UHFFFAOYSA-N- Molecular formula
- C5H11S2+
- Average molar mass
- 135.3 g/mol
- Monoisotopic mass
- 135.0302177
Names & identifiers
- Preferred name
- 1-Methyl-1,4-dithian-1-ium
- IUPAC
- 1-methyl-1,4-dithian-1-ium
Names & synonyms
5179-85-11-methyl-1,4-dithian-1-iumDTXSID10411527
Database identifiers
- CAS
5179-85-1- PubChem CID
- 5227399
- DTXSID
DTXSID10411527- Nikkaji
- J3.422.506K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 1
- Complexity
- 48
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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