Compound C16H13NO2S
3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid
CAS: 52321-54-7
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.3 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 78.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 52321-54-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CCC(=O)O |
| InChIKey | NKOLMUVZDOHNNB-UHFFFAOYSA-N |
📖 Product Overview
Compound C16H13NO2S (CAS: 52321-54-7) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.3 g/mol. Its IUPAC systematic name is 3-(2-phenyl-1,3-benzothiazol-5-yl)propanoic acid.
NKOLMUVZDOHNNB-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CCC(=O)O.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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