Basic information
- CAS
108361-84-8- Standard SMILES
CC(=O)CN1C(=O)c2c(C)cc(C)nc2S1(=O)=O- InChIKey
YIOSSSSJAJHOCJ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(2-oxopropyl)-, 1,1-dioxide
- IUPAC
- 4,6-dimethyl-1,1-dioxo-2-(2-oxopropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Names & synonyms
108361-84-8Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(2-oxopropyl)-, 1,1-dioxide4,6-Dimethyl-2-(2-oxopropyl)isothiazolo(5,4-b)pyridin-3(2H)-one 1,1-dioxideDTXSID10148523RefChem:350163DTXCID3071014NSC713905NSC-7139054,6-Dimethyl-2-(2-oxopropyl)-1H-1lambda~6~-[1,2]thiazolo[5,4-b]pyridine-1,1,3(2H)-trione
Database identifiers
- CAS
108361-84-8- PubChem CID
- 401082
- DTXSID
DTXSID10148523
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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