Cas no 163299-21-6 (Benzothiazole,2-ethyl-7-methoxy-)
163299-21-6 structure
Product Name:Benzothiazole,2-ethyl-7-methoxy-
CAS No:163299-21-6
MF:C10H11NOS
MW:193.265441179276
CID:110188
PubChem ID:23289328
Update Time:2025-04-18
Benzothiazole,2-ethyl-7-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-ethyl-7-methoxy-
- Benzothiazole, 2-ethyl-7-methoxy- (9CI)
- 2-Ethyl-7-methoxy-1,3-benzothiazole
- AKOS006307468
- 163299-21-6
- SCHEMBL8052343
-
- Inchi： 1S/C10H11NOS/c1-3-9-11-7-5-4-6-8(12-2)10(7)13-9/h4-6H,3H2,1-2H3
- InChI Key： AMXHBFCYIDWTEE-UHFFFAOYSA-N
- SMILES： S1C(CC)=NC2C=CC=C(C1=2)OC
Computed Properties
- Exact Mass: 193.05623
- Monoisotopic Mass: 193.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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
- Topological Polar Surface Area: 50.4A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 22.12
Benzothiazole,2-ethyl-7-methoxy- Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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