3-Bromo-4,6-dimethylisothiazolo[5,4-b]pyridine
Basic information
- CAS
61889-26-7- Standard SMILES
Cc1cc(C)c2c(Br)nsc2n1- InChIKey
GQVKRDRDFJTFEZ-UHFFFAOYSA-N- Molecular formula
- C8H7BrN2S
- Average molar mass
- 243.13 g/mol
- Monoisotopic mass
- 241.95133
Names & identifiers
- Preferred name
- 3-Bromo-4,6-dimethylisothiazolo[5,4-b]pyridine
- IUPAC
- 3-bromo-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridine
- English name
- 3-Bromo-4,6-dimethyl-isothiazolo[5,4-b]pyridine
- Molecular formula
- C8H7BrN2S
- Molecular weight
- 243.12
Names & synonyms
61889-26-73-Bromo-4,6-dimethylisothiazolo[5,4-b]pyridine3-Bromo-4,6-dimethyl-isothiazolo[5,4-b]pyridine3-bromo-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridineMFCD008547293-bromo-4,6-dimethyl[1,2]thiazolo[5,4-b]pyridineIsothiazolo[5,4-b]pyridine,3-bromo-4,6-dimethyl-DTXSID60347120GQVKRDRDFJTFEZ-UHFFFAOYSA-NALBB-032811STK781587AKOS003677837
Show more names
AKOS USSH-4110740Isothiazolo[5,4-b]pyridine, 3-bromo-4,6-dimethyl-3-bromo-4,6-dimethylisothiazolo[5,4-b]pyridine(SALTDATA: FREE)
CCG-321571LS-12262DB-081476ST4118609CS-0317472H46561F3120053-Bromo-4,6-dimethylisothiazolo[5,4-b]pyridine #
Database identifiers
- CAS
61889-26-7- PubChem CID
- 618070
- DTXSID
DTXSID60347120
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
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Compound notes
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