Cas no 697-66-5 (Benzothiazolium, 3-methyl-)
Benzothiazolium, 3-methyl- structure
Product Name:Benzothiazolium, 3-methyl-
Benzothiazolium, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazolium, 3-methyl-
- 3-methyl-1,3-benzothiazol-3-ium
- DTXSID40274728
- 697-66-5
- CHEMBL415702
- SCHEMBL2271462
-
- Inchi： 1S/C8H8NS/c1-9-6-10-8-5-3-2-4-7(8)9/h2-6H,1H3/q+1
- InChI Key： UKJRKKQWBUZLPP-UHFFFAOYSA-N
- SMILES： S1C=[N+](C)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 150.03784
- Monoisotopic Mass: 150.03774543g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- 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
- XLogP3: 2.5
- Topological Polar Surface Area: 32.1?2
Experimental Properties
- PSA: 3.88
Benzothiazolium, 3-methyl- Related Literature
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
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
-
Jason Wan Lab Chip, 2020,20, 4528-4538
697-66-5 (Benzothiazolium, 3-methyl-) Related Products
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