Cas no 181820-04-2 (4-Benzothiazolemethanol,a-methyl-)
181820-04-2 structure
Product Name:4-Benzothiazolemethanol,a-methyl-
CAS No:181820-04-2
MF:C9H9NOS
MW:179.238860845566
CID:113718
PubChem ID:45077206
Update Time:2025-04-18
4-Benzothiazolemethanol,a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Benzothiazolemethanol,a-methyl-
- 1-(1,3-benzothiazol-4-yl)ethanol
- 4-Benzothiazolemethanol,alpha-methyl-(9CI)
- 181820-04-2
-
- Inchi： 1S/C9H9NOS/c1-6(11)7-3-2-4-8-9(7)10-5-12-8/h2-6,11H,1H3
- InChI Key： RGKLQOBIATYNJB-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C=CC=C2C(C)O
Computed Properties
- Exact Mass: 179.04
- Monoisotopic Mass: 179.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 61.4A^2
- XLogP3: 1.9
4-Benzothiazolemethanol,a-methyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
181820-04-2 (4-Benzothiazolemethanol,a-methyl-) Related Products
- 95-26-1(2,5-Dimethylbenzothiazole)
- 95-16-9(Benzothiazole)
- 7686-41-1(Benzodthiazol-5-ol)
- 533-30-2(1,3-Benzothiazol-6-amine)
- 1477-42-5(4-methyl-1,3-benzothiazol-2-amine)
- 2268-79-3(6-Methyl-2-mercaptobenzothiazole)
- 2536-91-6(6-methyl-1,3-benzothiazol-2-amine)
- 5683-41-0(2,5,6-Trimethylbenzothiazole)
- 3622-35-3(1,3-benzothiazole-6-carboxylic acid)
- 93-85-6(2-amino-1,3-benzothiazole-6-carboxylic acid)
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