Cas no 126740-37-2 (Propanoic acid,3-(hexylthio)-2-methyl-, ammonium salt (1:1))
126740-37-2 structure
Product Name:Propanoic acid,3-(hexylthio)-2-methyl-, ammonium salt (1:1)
CAS No:126740-37-2
MF:C10H23NO2S
MW:221.360121965408
CID:143654
PubChem ID:3079927
Update Time:2025-04-19
Propanoic acid,3-(hexylthio)-2-methyl-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-(hexylthio)-2-methyl-, ammonium salt (1:1)
- azanium,3-hexylsulfanyl-2-methylpropanoate
- Propanoic acid, 3-(hexylthio)-2-methyl-, ammonium salt
- 3-(Hexylthio)-2-methylpropanoic acid ammonium salt
- 126740-37-2
-
- Inchi： 1S/C10H20O2S.H3N/c1-3-4-5-6-7-13-8-9(2)10(11)12;/h9H,3-8H2,1-2H3,(H,11,12);1H3
- InChI Key： APLQFMZCSHMBPX-UHFFFAOYSA-N
- SMILES： S(CC(C(=O)[O-])C)CCCCCC.[NH4+]
Computed Properties
- Exact Mass: 221.14509
- Monoisotopic Mass: 221.145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 131
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- Boiling Point: 318.2°C at 760 mmHg
- Flash Point: 146.2°C
- PSA: 76.63
Propanoic acid,3-(hexylthio)-2-methyl-, ammonium salt (1:1) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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