Cas no 24578-90-3 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-)
![Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]- structure](https://ossimg.kuujia.com/scimg/25000/24578-90-3x500.png)
24578-90-3 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-
CAS No:24578-90-3
MF:C8H18NOS
MW:176.299621105194
CID:260226
PubChem ID:74633
Update Time:2025-04-19
Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-
- Ethanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-
- ILWCNQXVCCMVCY-UHFFFAOYSA-
- SCHEMBL1057055
- QFJ
- InChI=1/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
- DTXSID60862767
- N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
- Propionylthiocholine
- trimethyl(2-propanoylsulfanylethyl)azanium
- 24578-90-3
- trimethyl-(2-propanoylsulfanylethyl)azanium iodide
-
- Inchi： 1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
- InChI Key： ILWCNQXVCCMVCY-UHFFFAOYSA-N
- SMILES： S(C(CC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 176.11104
- Monoisotopic Mass: 176.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 129
- 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
- Topological Polar Surface Area: 42.4A^2
- XLogP3: 1.2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 17.07
Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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