BRN 0808880
2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-5-yl]acetic acid
CAS: 36782-45-3
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.4 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 36782-45-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O |
| InChIKey | RBULJSNVVSSVKH-UHFFFAOYSA-N |
📖 Product Overview
BRN 0808880 (CAS: 36782-45-3) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.4 g/mol. Its IUPAC systematic name is 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-5-yl]acetic acid.
RBULJSNVVSSVKH-UHFFFAOYSA-N.
SMILES: CC(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=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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Frequently Asked Questions
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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