Basic information
- CAS
16452-25-8- Standard SMILES
CC1SCCCS1=O- InChIKey
CZILJPDWGUDUME-UHFFFAOYSA-N- Molecular formula
- C5H10OS2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.01730729
Names & identifiers
- Preferred name
- 2-Methyl-1lambda~4~,3-dithian-1-one
- IUPAC
- 2-methyl-1,3-dithiane 1-oxide
Names & synonyms
16452-25-8DTXSID809369542-Methyl-1lambda~4~,3-dithian-1-oneRefChem:1063655DTXCID209293601,3-Dithiane, 2-methyl-, 1-oxide2-Methyl-m-dithiane 1-oxidem-DITHIANE, 2-METHYL-, 1-OXIDE2-methyl-1,3-dithiane 1-oxideSCHEMBL13003388
Database identifiers
- CAS
16452-25-8- PubChem CID
- 27883
- DTXSID
DTXSID80936954- Nikkaji
- J862.954D
Properties
Computed structural properties
- XLogP
- 0.5
- 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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