Cas no 94088-03-6 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1))
94088-03-6 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1)
CAS No:94088-03-6
MF:C9H20BrNOS
MW:270.230200767517
CID:814410
PubChem ID:3023458
Update Time:2025-04-19
Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1)
- [2-(butyrylthio)ethyl]trimethylammonium bromide
- 2-butanoylsulfanylethyl(trimethyl)azanium,bromide
- DTXSID90916540
- EINECS 301-999-9
- 2-(Butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium bromide
- 94088-03-6
- butyrylthiocholine bromide
- NS00092402
- (2-(Butyrylthio)ethyl)trimethylammonium bromide
-
- Inchi: 1S/C9H20NOS.BrH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
- InChI Key: JLFDGMDQNMQCGF-UHFFFAOYSA-M
- SMILES: [Br-].S(C(CCC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 269.04490g/mol
- Monoisotopic Mass: 269.04490g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 140
- 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: 42.4?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
94088-03-6 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1)) Related Products
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