Cas no 89059-20-1 (Benzothiazolium, 6-chloro-3-methyl-, iodide)
89059-20-1 structure
Product Name:Benzothiazolium, 6-chloro-3-methyl-, iodide
CAS No:89059-20-1
MF:C8H7ClINS
MW:311.570351839066
CID:613892
PubChem ID:13206906
Update Time:2025-04-19
Benzothiazolium, 6-chloro-3-methyl-, iodide Chemical and Physical Properties
Names and Identifiers
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- Benzothiazolium, 6-chloro-3-methyl-, iodide
- 6-chloro-3-methyl-1,3-benzothiazol-3-ium,iodide
- DTXSID00527767
- 89059-20-1
- 6-Chloro-3-methyl-1,3-benzothiazol-3-ium iodide
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- Inchi： 1S/C8H7ClNS.HI/c1-10-5-11-8-4-6(9)2-3-7(8)10;/h2-5H,1H3;1H/q+1;/p-1
- InChI Key： PMKYJGKSJUBMOD-UHFFFAOYSA-M
- SMILES： [I-].ClC1C=CC2=C(C=1)SC=[N+]2C
Computed Properties
- Exact Mass: 310.90325g/mol
- Monoisotopic Mass: 310.90325g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 153
- 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-chloro-3-methyl-, iodide Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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