Basic information
- CAS
1569-98-8- Standard SMILES
c1coc(-c2nc3ccccc3s2)c1- InChIKey
PYOHHBLCCRIMFM-UHFFFAOYSA-N- Molecular formula
- C11H7NOS
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.02483484
Names & identifiers
- Preferred name
- 2-(Furan-2-yl)-1,3-benzothiazole
- IUPAC
- 2-(furan-2-yl)-1,3-benzothiazole
- English name
- Benzothiazole, 2-(2-furanyl)- (9CI)
- Molecular formula
- C11H7NOS
- Molecular weight
- 201.24
Names & synonyms
1569-98-82-(furan-2-yl)-1,3-benzothiazole2-(Furan-2-yl)benzothiazole2-(2-furyl)-1,3-benzothiazole2-(2-furyl)benzothiazoleNSC33157Benzothiazole, 2-(2-furanyl)- (9CI)MLS002639457Benzothiazole, 2-(2-furanyl)-2-furan-2-yl-benzothiazoleSCHEMBL2222770CHEMBL1717340
Show more names
2-(Furan-2-yl)benzo[d]thiazole2-furan-2-yl-1,3-benzothiazole
DTXSID60283736HMS1728F19HMS3091B03MFCD00460120NSC-33157AKOS001073153HS-4564SMR001548901
Database identifiers
- CAS
1569-98-8- PubChem CID
- 233991
- DTXSID
DTXSID60283736- ChEMBL
CHEMBL1717340- Nikkaji
- J647.267B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 336.8 · 336.8±34.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- pka
- 0.85 · 0.85±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宿州利元生物医药科技有限公司15556287180 15556287180 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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