Cas no 625-00-3 (Ethanaminium,2-mercapto-N,N,N-trimethyl-)
625-00-3 structure
Product Name:Ethanaminium,2-mercapto-N,N,N-trimethyl-
Ethanaminium,2-mercapto-N,N,N-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,2-mercapto-N,N,N-trimethyl-
- Thiocholine
- trimethyl(1-sulfanylethyl)azanium
- AC1L1Z59
- N,N,N-trimethyl-1-sulfanylethanaminium
- N,N,N-Trimethyl-2-aminoethanthiol-kation
- Trimethyl-(2-mercapto-aethyl)-ammonium
- trimethyl-(2-mercapto-ethyl)-ammonium
- Trimethylaminoethanthiol
-
- Inchi： 1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1
- InChI Key： VFUGTBZQGUVGEX-UHFFFAOYSA-O
- SMILES： SCC[N+](C)(C)C
Computed Properties
- Exact Mass: 120.08482
- Monoisotopic Mass: 120.08469562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 46.5
- 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: 0.6
- Topological Polar Surface Area: 1?2
Experimental Properties
- PSA: 0
Ethanaminium,2-mercapto-N,N,N-trimethyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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