Cas no 126740-29-2 (Propanoic acid,3-(butylthio)-, ammonium salt (1:1))
126740-29-2 structure
Product Name:Propanoic acid,3-(butylthio)-, ammonium salt (1:1)
CAS No:126740-29-2
MF:C7H17NO2S
MW:179.280380964279
CID:210663
PubChem ID:3079922
Update Time:2025-04-19
Propanoic acid,3-(butylthio)-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(butylthio)-, ammonium salt (1:1)
- azanium,3-butylsulfanylpropanoate
- Propanoic acid, 3-(butylthio)-, ammonium salt
- 3-(Butylthio)propanoic acid ammonium salt
- DTXSID40155280
- 126740-29-2
-
- Inchi： 1S/C7H14O2S.H3N/c1-2-3-5-10-6-4-7(8)9;/h2-6H2,1H3,(H,8,9);1H3
- InChI Key： QCEFAHIIKKNUEG-UHFFFAOYSA-N
- SMILES： S(CCC(=O)[O-])CCCC.[NH4+]
Computed Properties
- Exact Mass: 179.09811
- Monoisotopic Mass: 179.09799996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 88.1
- 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: 66.4?2
Experimental Properties
- PSA: 76.63
Propanoic acid,3-(butylthio)-, ammonium salt (1:1) Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
126740-29-2 (Propanoic acid,3-(butylthio)-, ammonium salt (1:1)) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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