Benzothiazole,5-phenoxy-
Basic information
- CAS
93137-90-7- Standard SMILES
c1ccc(Oc2ccc3scnc3c2)cc1- InChIKey
PULXJYONOGEWOR-UHFFFAOYSA-N- Molecular formula
- C13H9NOS
- Average molar mass
- 227.28 g/mol
Names & identifiers
- Preferred name
- Benzothiazole,5-phenoxy-
- IUPAC
- 5-phenoxy-1,3-benzothiazole
- English name
- Benzothiazole, 5-phenoxy- (7CI)
- Molecular formula
- C13H9NOS
- Molecular weight
- 227.28166
Names & synonyms
93137-90-7benzothiazole,5-phenoxy-SCHEMBL4640548SCHEMBL31609687BENZOTHIAZOLE, 5-PHENOXY-DB-274859Benzothiazole, 5-phenoxy- (7CI)
Database identifiers
- CAS
93137-90-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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