Basic information
- CAS
52321-51-4- Standard SMILES
CN1c2cc(CC(=O)O)ccc2SC1c1ccccc1- InChIKey
OCGNHCSQAXMFEA-UHFFFAOYSA-N- Molecular formula
- C16H15NO2S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.08234989
Names & identifiers
- Preferred name
- (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid
- IUPAC
- 2-(3-methyl-2-phenyl-2H-1,3-benzothiazol-5-yl)acetic acid
- English name
- 2,3-Dihydro-3-methyl-2-phenyl-5-benzothiazoleacetic acid
- Molecular formula
- C16H15NO2S
- Molecular weight
- 285.36
Names & synonyms
52321-51-4DTXSID70966705(3-methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acidRefChem:1050108DTXCID301394330BRN 05435363-Methyl-2-phenyl-5-benzothiazolineacetic acid5-BENZOTHIAZOLINEACETIC ACID, 3-METHYL-2-PHENYL-2,3-Dihydro-3-methyl-2-phenyl-5-benzothiazoleacetic acidDB-3022655-Benzothiazoleacetic acid, 2,3-dihydro-3-methyl-2-phenyl-
Database identifiers
- CAS
52321-51-4- PubChem CID
- 40314
- DTXSID
DTXSID70966705- Nikkaji
- J67.782E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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