2-(2-Pyridinyl)benzothiazole
Basic information
- CAS
716-80-3- Standard SMILES
c1ccc(-c2nc3ccccc3s2)nc1- InChIKey
XSWCYXIBEZMXMM-UHFFFAOYSA-N- Molecular formula
- C12H8N2S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.04081944
Names & identifiers
- Preferred name
- 2-(2-Pyridinyl)benzothiazole
- IUPAC
- 2-pyridin-2-yl-1,3-benzothiazole
- English name
- Benzothiazole, 2-(2-pyridinyl)- (9CI)
- Molecular formula
- C12H8N2S
- Molecular weight
- 212.27
Names & synonyms
716-80-3BENZOTHIAZOLE, 2-(2-PYRIDYL)-2-(2-Pyridinyl)benzothiazoleBenzothiazole, 2-(2-pyridinyl)-NSC-62611TZ939HAJ6TDTXSID00221834RefChem:1060949DTXCID301443252-(pyridin-2-yl)benzo[d]thiazole2-(pyridin-2-yl)-1,3-benzothiazole2-(Pyridin-2-yl)benzothiazole
Show more names
2-Pyridin-2-yl-benzothiazole2-(2-pyridyl)-1,3-benzothiazole
2-pyridin-2-yl-1,3-benzothiazoleBenzothiazole, 2-(2-pyridinyl)- (9CI)MLS0007366972-(2-pyridyl)benzothiazole2-(alpha-Pyridyl)benzothiazoleNSC 62611BRN 0151408NSC62611
Database identifiers
- CAS
716-80-3- PubChem CID
- 12856
- DTXSID
DTXSID00221834- ChEMBL
CHEMBL1379011- UNII
- TZ939HAJ6T
- Nikkaji
- J41.948F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 136 · 136-137℃
- Boiling point
- 384.5 · 384.5±34.0 °C(Predicted)
- Density
- 1.288 · 1.288
- pka
- 1.29 · 1.29±0.19(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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