Cas no 4555-00-4 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-)
![Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]- structure](https://ossimg.kuujia.com/scimg/5000/4555-00-4x500.png)
4555-00-4 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-
Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-
- 2-butanoylsulfanylethyl(trimethyl)azanium
- Butyrylthiocholine
- 2-(Butyrylsulfanyl)-N,N,N-trimethylethanaminium
- Ethanaminium, N,N,N-trimethyl-2-((1-oxobutyl)thio)-
- (Propylcarbonylthioethyl)trimethylammonium iodide
- N,N,N-TRIMETHYL-2-((1-OXOBUTYL)THIO)ETHANAMINIUM
- CHEMBL139908
- butanoylthiocholine
- DB04250
- K8D83KI04M
- CHEBI:41055
- DTXSID00196553
- CHEMBL148530
- UNII-K8D83KI04M
- 2ha7
- BDBM8978
- Q27095072
- InChI=1/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
- AWBGQVBMGBZGLS-UHFFFAOYSA-
- S-butanoylthiocholine
- SCHEMBL570209
- 4555-00-4
- s-butyrylthiocholine
- 2-butanoylsulfanylethyl-trimethylazanium iodide
- 2-(butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium
- 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium
- NS00068685
-
- Inchi： 1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
- InChI Key： AWBGQVBMGBZGLS-UHFFFAOYSA-N
- SMILES： S(C(CCC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 190.1267
- Monoisotopic Mass: 190.12656
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 140
- 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
- Surface Charge: 1
- Tautomer Count: nothing
- XLogP3: 1.5
- Topological Polar Surface Area: 42.4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 17.07
Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]- Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
4555-00-4 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-) Related Products
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