Cas no 20077-89-8 (6-Benzothiazolemethanol, alpha,2-dimethyl-)
20077-89-8 structure
Product Name:6-Benzothiazolemethanol, alpha,2-dimethyl-
CAS No:20077-89-8
MF:C10H11NOS
MW:193.265441179276
CID:240745
Update Time:2023-08-02
6-Benzothiazolemethanol, alpha,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolemethanol,a,2-dimethyl-
- 6-Benzothiazolemethanol,alpha,2-dimethyl-(8CI)
- 6-Benzothiazolemethanol, alpha,2-dimethyl-
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- Inchi： 1S/C10H11NOS/c1-6(12)8-3-4-9-10(5-8)13-7(2)11-9/h3-6,12H,1-2H3
- InChI Key： ABQZCPVYLOKIAO-UHFFFAOYSA-N
- SMILES： S1C(C)=NC2=CC=C(C=C12)C(C)O
Computed Properties
- Exact Mass: 193.056
- Monoisotopic Mass: 193.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.4
6-Benzothiazolemethanol, alpha,2-dimethyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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