Basic information
- CAS
109202-20-2- Standard SMILES
Cc1ccc(-c2nc3cccnc3s2)cc1- InChIKey
UADJEKNLXYJMMI-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
- IUPAC
- 2-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine
- English name
- 2-p-tolylthiazolopyridine
- Molecular formula
- C13H10N2S
- Molecular weight
- 226.3
Names & synonyms
SCHEMBL144064402-p-tolylthiazolopyridineThiazolo[5,4-b]pyridine, 2-(4-methylphenyl)-
Database identifiers
- CAS
109202-20-2- PubChem CID
- 13728889
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 117 · 117-118 °C(Solv: ethanol (64-17-5))
- Boiling point
- 378.4 · 378.4±44.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 1.21 · 1.21±0.50(Predicted)
Chemistry & industry
Suppliers1 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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