Cas no 89059-14-3 (Benzothiazolium, 6-methyl-3-(2-propenyl)-, bromide)
89059-14-3 structure
Product Name:Benzothiazolium, 6-methyl-3-(2-propenyl)-, bromide
CAS No:89059-14-3
MF:C11H12BrNS
MW:270.188680648804
CID:613898
PubChem ID:13206892
Update Time:2025-04-19
Benzothiazolium, 6-methyl-3-(2-propenyl)-, bromide Chemical and Physical Properties
Names and Identifiers
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- Benzothiazolium, 6-methyl-3-(2-propenyl)-, bromide
- 6-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium,bromide
- 6-Methyl-3-(prop-2-en-1-yl)-1,3-benzothiazol-3-ium bromide
- DTXSID80527760
- 89059-14-3
-
- Inchi： 1S/C11H12NS.BrH/c1-3-6-12-8-13-11-7-9(2)4-5-10(11)12;/h3-5,7-8H,1,6H2,2H3;1H/q+1;/p-1
- InChI Key： JPGCLALHINJRPP-UHFFFAOYSA-M
- SMILES： [Br-].S1C=[N+](CC=C)C2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 268.98738g/mol
- Monoisotopic Mass: 268.98738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 193
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.1?2
Benzothiazolium, 6-methyl-3-(2-propenyl)-, bromide Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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