Cas no 70942-45-9 (Propanoic acid,3-mercapto-, tetradecyl ester)
70942-45-9 structure
Product Name:Propanoic acid,3-mercapto-, tetradecyl ester
CAS No:70942-45-9
MF:C17H34O2S
MW:302.515664577484
CID:565590
PubChem ID:116958
Update Time:2025-04-19
Propanoic acid,3-mercapto-, tetradecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,3-mercapto-, tetradecyl ester
- tetradecyl 3-mercaptopropionate
- tetradecyl 3-sulfanylpropanoate
- Myristyl 3-mercaptopropionate
- Tetradecyl 3-mercaptopropanoate
- EINECS 275-049-6
- Propanoic acid, 3-mercapto-, tetradecyl ester
- NS00037134
- SCHEMBL12890869
- 70942-45-9
- DTXSID1072212
-
- Inchi： 1S/C17H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20/h20H,2-16H2,1H3
- InChI Key： ZFPOOXOHYITZFO-UHFFFAOYSA-N
- SMILES： SCCC(=O)OCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 302.22812
- Monoisotopic Mass: 302.228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 16
- Complexity: 207
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 27.3?2
Experimental Properties
- Density: 0.926
- Boiling Point: 386.9°C at 760 mmHg
- Flash Point: 234.2°C
- Refractive Index: 1.466
- PSA: 26.3
Propanoic acid,3-mercapto-, tetradecyl ester Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
70942-45-9 (Propanoic acid,3-mercapto-, tetradecyl ester) Related Products
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- 31778-15-1(Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate))
- 71849-93-9(Propanoic acid,3-mercapto-, octyl ester)
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