Cas no 163299-43-2 (Benzothiazole,2-methyl-7-(2-propen-1-yloxy)-)
163299-43-2 structure
Product Name:Benzothiazole,2-methyl-7-(2-propen-1-yloxy)-
CAS No:163299-43-2
MF:C11H11NOS
MW:205.276141405106
CID:110194
PubChem ID:23289341
Update Time:2025-04-18
Benzothiazole,2-methyl-7-(2-propen-1-yloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-methyl-7-(2-propen-1-yloxy)-
- Benzothiazole, 2-methyl-7-(2-propenyloxy)- (9CI)
- SCHEMBL8050983
- SNQAMCALOPHXFW-UHFFFAOYSA-N
- 7-(Allyloxy)-2-methylbenzo[d]thiazole
- 7-allyloxy-2-methyl-benzothiazole
- 163299-43-2
- 2-methyl-7-prop-2-enoxy-1,3-benzothiazole
-
- Inchi： 1S/C11H11NOS/c1-3-7-13-10-6-4-5-9-11(10)14-8(2)12-9/h3-6H,1,7H2,2H3
- InChI Key： SNQAMCALOPHXFW-UHFFFAOYSA-N
- SMILES： S1C(C)=NC2C=CC=C(C1=2)OCC=C
Computed Properties
- Exact Mass: 205.05623
- Monoisotopic Mass: 205.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- 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: 3.4
Experimental Properties
- PSA: 22.12
Benzothiazole,2-methyl-7-(2-propen-1-yloxy)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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