Basic information
- CAS
36782-39-5- Standard SMILES
O=C(O)Cc1ccc2nc(-c3ccccc3)sc2c1- InChIKey
DGIRRQAONAAJCV-UHFFFAOYSA-N- Molecular formula
- C15H11NO2S
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.05104977
Names & identifiers
- Preferred name
- 6-Benzothiazoleacetic acid, 2-phenyl-
- IUPAC
- 2-(2-phenyl-1,3-benzothiazol-6-yl)acetic acid
- English name
- 2-Phenyl-6-benzothiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
2-Phenyl-6-benzothiazoleacetic acid6-BENZOTHIAZOLEACETIC ACID, 2-PHENYL-BRN 080105636782-39-5DTXSID10190249RefChem:307238DTXCID70112740(2-phenyl-1,3-benzothiazol-6-yl)acetic acidSCHEMBL12596891AKOS005061528DB-261396
Database identifiers
- CAS
36782-39-5- PubChem CID
- 37535
- DTXSID
DTXSID10190249- Nikkaji
- J54.537F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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