Basic information
- CAS
61170-19-2- Standard SMILES
CC1=CS(=O)(=O)CC=C1Cl- InChIKey
LGYFUZUPVDCKBJ-UHFFFAOYSA-N- Molecular formula
- C6H7ClO2S
- Average molar mass
- 178.64 g/mol
- Monoisotopic mass
- 177.9855283
Names & identifiers
- Preferred name
- 4-Chloro-5-methyl-1lambda~6~-thiopyran-1,1(2H)-dione
- IUPAC
- 4-chloro-5-methyl-2H-thiopyran 1,1-dioxide
Names & synonyms
61170-19-24-Chloro-5-methyl-1lambda~6~-thiopyran-1,1(2H)-dioneDTXSID50820114
Database identifiers
- CAS
61170-19-2- PubChem CID
- 71398705
- DTXSID
DTXSID50820114
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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