Cas no 122815-13-8 (Propanoic acid,3-(octylthio)-, ammonium salt (1:1))
122815-13-8 structure
Product Name:Propanoic acid,3-(octylthio)-, ammonium salt (1:1)
CAS No:122815-13-8
MF:C11H25NO2S
MW:235.386702299118
CID:150723
PubChem ID:3078815
Update Time:2025-04-19
Propanoic acid,3-(octylthio)-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(octylthio)-, ammonium salt (1:1)
- azanium,3-octylsulfanylpropanoate
- AKOS024366911
- 3-(Octylthio)propanoic acid ammonium salt
- Propanoic acid, 3-(octylthio)-, ammonium salt
- 122815-13-8
- DTXSID80153725
-
- Inchi： 1S/C11H22O2S.H3N/c1-2-3-4-5-6-7-9-14-10-8-11(12)13;/h2-10H2,1H3,(H,12,13);1H3
- InChI Key： VOWAOAGIIPOKIP-UHFFFAOYSA-N
- SMILES： S(CCC(=O)[O-])CCCCCCCC.[NH4+]
Computed Properties
- Exact Mass: 235.16075
- Monoisotopic Mass: 235.16060021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 132
- 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-(octylthio)-, ammonium salt (1:1) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
122815-13-8 (Propanoic acid,3-(octylthio)-, 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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