Cas no 17626-88-9 (Benzothiazole,2-(1,1-dimethylethyl)-)
17626-88-9 structure
Product Name:Benzothiazole,2-(1,1-dimethylethyl)-
CAS No:17626-88-9
MF:C11H13NS
MW:191.29262137413
CID:205236
PubChem ID:317003
Update Time:2025-04-19
Benzothiazole,2-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(1,1-dimethylethyl)-
- 2-tert-Butyl-1,3-benzothiazole
- Benzothiazole, 2-(1,1-dimethylethyl)- (9CI)
- 2-(1,1-dimethylethyl)benzothiazole
- 2-(1,1-dimethylethyl)-Benzothiazole
- 2-(tert-butyl)benzo[d]thiazole
- 2-(tert-butyl)benzothiazole
- 2-t-butyl-1,3-benzothiazole
- 2-tert-Butyl-1,3-benzothiazol
- 2-tert-butylbenzo[d]thiazole
- 2-tert-butylbenzothiazoline
- AC1L7V3K
- CTK8H2836
- NSC246099
- SureCN108180
- AKOS006229854
- FT-0745432
- 17626-88-9
- benzothiazole, 2-(1,1-dimethylethyl)-
- InChI=1/C11H13NS/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H
- 2-tert-butylbenzothiazole
- NSC-246099
- SCHEMBL108180
- DTXSID80311863
-
- Inchi： 1S/C11H13NS/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
- InChI Key： YCAIAEVWVDGLAV-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C(C)(C)C
Computed Properties
- Exact Mass: 191.07699
- Monoisotopic Mass: 191.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- Density: 1.106g/cm3
- Boiling Point: 271oC at 760mmHg
- Flash Point: 113.9oC
- Refractive Index: 1.597
- PSA: 12.89
- LogP: 3.59380
Benzothiazole,2-(1,1-dimethylethyl)- Related Literature
-
Xu-Hui Huang,Yu-Ying Zhang,Ming Zhu,Da-Yong Zhou,Ming Du,Bei-Wei Zhu,Xiu-Ping Dong,Ian Fisk,Lei Qin Food Funct. 2021 12 1626
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