1,3-Benzothiazol-2-ylmethyl 2-hydroxybenzoate
Basic information
- CAS
728902-92-9- Standard SMILES
O=C(OCc1nc2ccccc2s1)c1ccccc1O- InChIKey
DLKFMXVSUGYENY-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- 1,3-Benzothiazol-2-ylmethyl 2-hydroxybenzoate
- IUPAC
- 1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoate
Names & synonyms
1,3-benzothiazol-2-ylmethyl 2-hydroxybenzoateMLS000775416CHEMBL1382673DTXSID601333454HMS2664P19AKOS002504701728902-92-9SMR000368507(1,3-benzothiazol-2-yl)methyl 2-hydroxybenzoateAB00585160-02SR-01000039951SR-01000039951-1
Show more names
Z19702610
Database identifiers
- CAS
728902-92-9- PubChem CID
- 2390727
- DTXSID
DTXSID601333454- ChEMBL
CHEMBL1382673
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility4.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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