6-Bromo-2-iodobenzo[d]thiazole
Basic information
- CAS
1188077-72-6- Standard SMILES
Brc1ccc2nc(I)sc2c1- InChIKey
BKEJBIDIIKBSFD-UHFFFAOYSA-N- Molecular formula
- C7H3BrINS
- Average molar mass
- 339.98 g/mol
- Monoisotopic mass
- 338.82143
Names & identifiers
- Preferred name
- 6-Bromo-2-iodobenzo[d]thiazole
- IUPAC
- 6-bromo-2-iodo-1,3-benzothiazole
- English name
- 6-Bromo-2-iodobenzo[d]thiazole
- Molecular formula
- C7H3BrINS
- Molecular weight
- 339.98
Names & synonyms
6-Bromo-2-iodobenzo[d]thiazole1188077-72-66-bromo-2-iodo-1,3-benzothiazole6-Bromo-2-iodo-benzothiazoleC7H3BrINSSCHEMBL9883331DTXSID20737841MFCD12756567CS-0212777G10886EN300-6775529Benzothiazole, 6-bromo-2-iodo-
Database identifiers
- CAS
1188077-72-6- PubChem CID
- 67950583
- DTXSID
DTXSID20737841
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 374.9 · 374.9±34.0 °C(Predicted)
- Density
- 2.352 · 2.352±0.06 g/cm3(Predicted)
- pka
- -0.63 · -0.63±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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