2,4-Dimethyl-1lambda~6~-thiane-1,1,3-trione
Basic information
- CAS
89717-35-1- Standard SMILES
CC1CCS(=O)(=O)C(C)C1=O- InChIKey
PJJYHANWIDEICJ-UHFFFAOYSA-N- Molecular formula
- C7H12O3S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.05071541
Names & identifiers
- Preferred name
- 2,4-Dimethyl-1lambda~6~-thiane-1,1,3-trione
- IUPAC
- 2,4-dimethyl-1,1-dioxothian-3-one
Names & synonyms
89717-35-12,4-Dimethyl-1lambda~6~-thiane-1,1,3-trioneDTXSID70519098
Database identifiers
- CAS
89717-35-1- PubChem CID
- 13115083
- DTXSID
DTXSID70519098
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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