Cas no 41004-47-1 (5-methylheptyl 3-mercaptopropionate)
41004-47-1 structure
Product Name:5-methylheptyl 3-mercaptopropionate
CAS No:41004-47-1
MF:C11H22O2S
MW:218.356182575226
CID:926464
PubChem ID:3016241
Update Time:2025-04-19
5-methylheptyl 3-mercaptopropionate Chemical and Physical Properties
Names and Identifiers
-
- 5-methylheptyl 3-mercaptopropionate
- 5-methylheptyl 3-sulfanylpropanoate
- 41004-47-1
- EINECS 255-173-7
- NS00056017
- WSEANFMTJISBJG-UHFFFAOYSA-N
- DTXSID50961374
-
- Inchi： 1S/C11H22O2S/c1-3-10(2)6-4-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3
- InChI Key： WSEANFMTJISBJG-UHFFFAOYSA-N
- SMILES： SCCC(=O)OCCCCC(C)CC
Computed Properties
- Exact Mass: 218.13405111g/mol
- Monoisotopic Mass: 218.13405111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 27.3?2
5-methylheptyl 3-mercaptopropionate Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
41004-47-1 (5-methylheptyl 3-mercaptopropionate) Related Products
- 16215-21-7(Butyl- 3-mercaptopropionate)
- 50448-95-8(2-Ethylhexyl 3-Mercaptopropionate)
- 6380-71-8(Propanoic acid,3-mercapto-, dodecyl ester)
- 30374-01-7(Isooctyl 3-mercaptopropionate)
- 31778-15-1(Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate))
- 71849-93-9(Propanoic acid,3-mercapto-, octyl ester)
- 50727-77-0(Propanoic acid,3-mercapto-, tridecyl ester)
- 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)
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