Cas no 60045-74-1 (N,N,N-trimethyl-2,1,3-benzothiadiazol-5-aminium iodide)
60045-74-1 structure
Product Name:N,N,N-trimethyl-2,1,3-benzothiadiazol-5-aminium iodide
CAS No:60045-74-1
MF:C9H12IN3S
MW:321.18115234375
CID:1622778
PubChem ID:43184
Update Time:2025-04-21
N,N,N-trimethyl-2,1,3-benzothiadiazol-5-aminium iodide Chemical and Physical Properties
Names and Identifiers
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- N,N,N-trimethyl-2,1,3-benzothiadiazol-5-aminium iodide
- AMMONIUM, (2,1,3-BENZOTHIA(S IV)DIAZOL-5-YL)TRIMETHYL-, IODIDE
- 60045-74-1
- DTXSID30975474
- (2,1,3-Benzothia(S IV)diazol-5-yl)trimethylammonium iodide
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- Inchi： 1S/C9H12N3S.HI/c1-12(2,3)7-4-5-8-9(6-7)11-13-10-8;/h4-6H,1-3H3;1H/q+1;/p-1
- InChI Key： WXNOHMLYCRNNCP-UHFFFAOYSA-M
- SMILES： [I-].S1N=C2C=CC(=CC2=N1)[N+](C)(C)C
Computed Properties
- Exact Mass: 308.8854
- Monoisotopic Mass: 320.97967g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 54?2
Experimental Properties
- PSA: 25.78
N,N,N-trimethyl-2,1,3-benzothiadiazol-5-aminium iodide Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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