Basic information
- CAS
35390-43-3- Standard SMILES
CC1CCCS(=O)S1- InChIKey
FPDMPVDXRQMWDH-UHFFFAOYSA-N- Molecular formula
- C5H10OS2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.01730729
Names & identifiers
- Preferred name
- 3-Methyl-1,2lambda~4~-dithian-1-one
- IUPAC
- 3-methyldithiane 1-oxide
Names & synonyms
35390-43-33-Methyl-1,2lambda~4~-dithian-1-oneDTXSID40503828RefChem:280576DTXCID30454638SCHEMBL206563143-Methyl-1lambda~4~,2-dithian-1-one
Database identifiers
- CAS
35390-43-3- PubChem CID
- 12596201
- DTXSID
DTXSID40503828
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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