Basic information
- CAS
695174-48-2- Standard SMILES
COc1ccc(-c2nc3ccccc3s2)cc1Br- InChIKey
RHPSIZBKYZMYND-UHFFFAOYSA-N- Molecular formula
- C14H10BrNOS
- Average molar mass
- 320.21 g/mol
- Monoisotopic mass
- 318.96665
Names & identifiers
- Preferred name
- 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole
- IUPAC
- 2-(3-bromo-4-methoxyphenyl)-1,3-benzothiazole
Names & synonyms
2-(3-bromo-4-methoxyphenyl)-1,3-benzothiazole695174-48-22-(3-Bromo-4-methoxyphenyl)benzothiazoleDTXSID501275095STL507879AKOS037489568
Database identifiers
- CAS
695174-48-2- PubChem CID
- 976470
- DTXSID
DTXSID501275095
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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