Cas no 89635-77-8 (Propanoic acid, 3-mercapto-, 2-methylpropyl ester)
89635-77-8 structure
Product Name:Propanoic acid, 3-mercapto-, 2-methylpropyl ester
CAS No:89635-77-8
MF:C7H14O2S
MW:162.249861240387
CID:593871
PubChem ID:20491994
Update Time:2025-04-19
Propanoic acid, 3-mercapto-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-mercapto-, 2-methylpropyl ester
- 2-methylpropyl 3-sulfanylpropanoate
- SCHEMBL6738675
- 89635-77-8
- DTXSID90608034
-
- Inchi： 1S/C7H14O2S/c1-6(2)5-9-7(8)3-4-10/h6,10H,3-5H2,1-2H3
- InChI Key： DLCTXDMTTNUVNQ-UHFFFAOYSA-N
- SMILES： SCCC(=O)OCC(C)C
Computed Properties
- Exact Mass: 162.07145086g/mol
- Monoisotopic Mass: 162.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 102
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 27.3?2
Propanoic acid, 3-mercapto-, 2-methylpropyl ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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4. 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
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
89635-77-8 (Propanoic acid, 3-mercapto-, 2-methylpropyl ester) Related Products
- 5466-06-8(Ethyl 3-mercaptopropionate)
- 165804-07-9(n-Propyl 3-mercaptopropionate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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