Cas no 116008-54-9 (1H-Benzimidazol-6-amine,2-(methylthio)-)
116008-54-9 structure
Product Name:1H-Benzimidazol-6-amine,2-(methylthio)-
CAS No:116008-54-9
MF:C8H9N3S
MW:179.242159605026
CID:131028
PubChem ID:21226914
Update Time:2025-04-19
1H-Benzimidazol-6-amine,2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-6-amine,2-(methylthio)-
- Benzimidazole, 5(or 6)-amino-2-(methylthio)- (6CI)
- SCHEMBL2593902
- 116008-54-9
- AKOS010614682
- 2-methylsulfanyl-3H-benzimidazol-5-amine
- AKOS003574379
- SCHEMBL17076824
-
- Inchi： 1S/C8H9N3S/c1-12-8-10-6-3-2-5(9)4-7(6)11-8/h2-4H,9H2,1H3,(H,10,11)
- InChI Key： FTUPVZFFTQNCFB-UHFFFAOYSA-N
- SMILES： S(C)C1=NC2C=CC(=CC=2N1)N
Computed Properties
- Exact Mass: 179.052
- Monoisotopic Mass: 179.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 1.9
- Topological Polar Surface Area: 80A^2
1H-Benzimidazol-6-amine,2-(methylthio)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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