Cas no 178999-25-2 (Benzothiazole,2-(1,1-dimethylethyl)-7-methyl-)
178999-25-2 structure
Product Name:Benzothiazole,2-(1,1-dimethylethyl)-7-methyl-
CAS No:178999-25-2
MF:C12H15NS
MW:205.31920170784
CID:113033
PubChem ID:10655864
Update Time:2025-04-18
Benzothiazole,2-(1,1-dimethylethyl)-7-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(1,1-dimethylethyl)-7-methyl-
- Benzothiazole, 2-(1,1-dimethylethyl)-7-methyl- (9CI)
- SCHEMBL12340974
- 2-TERT-BUTYL-7-METHYL-1,3-BENZOTHIAZOLE
- 178999-25-2
-
- Inchi： 1S/C12H15NS/c1-8-6-5-7-9-10(8)14-11(13-9)12(2,3)4/h5-7H,1-4H3
- InChI Key： XHYYWHILMDOMFI-UHFFFAOYSA-N
- SMILES： S1C2C(C)=CC=CC=2N=C1C(C)(C)C
Computed Properties
- Exact Mass: 205.09265
- Monoisotopic Mass: 205.09252066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 209
- 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: 4.5
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Benzothiazole,2-(1,1-dimethylethyl)-7-methyl- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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