2-Methyl-1,3-dithian-5-one
Basic information
- CAS
61367-45-1- Standard SMILES
CC1SCC(=O)CS1- InChIKey
HDCJGQVGQGAJLM-UHFFFAOYSA-N- Molecular formula
- C5H8OS2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.00165722
Names & identifiers
- Preferred name
- 2-Methyl-1,3-dithian-5-one
- IUPAC
- 2-methyl-1,3-dithian-5-one
Names & synonyms
2-methyl-1,3-dithian-5-one61367-45-1NSC178029DTXSID30306648NSC-178029DS-013427
Database identifiers
- CAS
61367-45-1- PubChem CID
- 301384
- DTXSID
DTXSID30306648
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…