Cas no 110438-89-6 (Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide)
110438-89-6 structure
Product Name:Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide
CAS No:110438-89-6
MF:C10H22INOS
MW:331.257254123688
CID:1198845
PubChem ID:71335310
Update Time:2025-04-20
Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide Chemical and Physical Properties
Names and Identifiers
-
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide
- trimethyl(2-pentanoylsulfanylethyl)azanium,iodide
- N,N,N-Trimethyl-2-(pentanoylsulfanyl)ethan-1-aminium iodide
- DTXSID60763301
- 110438-89-6
-
- Inchi: 1S/C10H22NOS.HI/c1-5-6-7-10(12)13-9-8-11(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
- InChI Key: KEILFWHVGUVPEI-UHFFFAOYSA-M
- SMILES: [I-].S(C(CCCC)=O)CC[N+](C)(C)C
Computed Properties
- Exact Mass: 308.8741
- Monoisotopic Mass: 331.04668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 152
- 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
- PSA: 17.07
Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
110438-89-6 (Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide) Related Products
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