2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid
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![2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4eca93efb27b44f4bf5dbe5fcad41662.png "2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid")
2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid
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CAS No:
36782-58-8
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Formula:
C18H17NO2S
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Chemical Name:
2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid
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Synonyms:
6-BENZOTHIAZOLEACETIC ACID, 2-(p-CUMENYL)-;36782-58-8;BRN 0811219;2-(p-Cumenyl)-6-benzothiazoleacetic acid;DTXSID00190253;ZINC2008340
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CAS No:
2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid Basic Attributes
311.4 g/mol
311.09799996 g/mol
DTXSID00190253
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 400 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,930,1973 |
Computed Properties
Molecular Weight:311.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:311.09799996
Monoisotopic Mass:311.09799996
Topological Polar Surface Area:78.4
Heavy Atom Count:22
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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