Cas no 94291-66-4 (1-Propanethiol,3-[tris(octyloxy)silyl]-)
![1-Propanethiol,3-[tris(octyloxy)silyl]- structure](https://ossimg.kuujia.com/scimg/94500/94291-66-4x500.png)
94291-66-4 structure
Product Name:1-Propanethiol,3-[tris(octyloxy)silyl]-
CAS No:94291-66-4
MF:C27H58O3SSi
MW:490.898128986359
CID:804928
PubChem ID:3024279
Update Time:2025-04-19
1-Propanethiol,3-[tris(octyloxy)silyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanethiol,3-[tris(octyloxy)silyl]-
- 3-[tris(octyloxy)silyl]propanethiol
- 3-trioctoxysilylpropane-1-thiol
- EINECS 304-892-5
- 3-(Tris(octyloxy)silyl)propanethiol
- NS00066657
- SCHEMBL2334553
- 3-[tris-(Octyloxy)silyl]propanethiol
- 94291-66-4
- DTXSID40241394
-
- Inchi： 1S/C27H58O3SSi/c1-4-7-10-13-16-19-23-28-32(27-22-26-31,29-24-20-17-14-11-8-5-2)30-25-21-18-15-12-9-6-3/h31H,4-27H2,1-3H3
- InChI Key： WEPFXPXOMFVBDZ-UHFFFAOYSA-N
- SMILES： SCCC[Si](OCCCCCCCC)(OCCCCCCCC)OCCCCCCCC
Computed Properties
- Exact Mass: 490.387593
- Monoisotopic Mass: 490.387593
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 27
- Complexity: 312
- 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
- Topological Polar Surface Area: 28.7
Experimental Properties
- Density: 0.903
- Boiling Point: 512.5°Cat760mmHg
- Flash Point: 263.7°C
- Refractive Index: 1.46
- PSA: 66.49000
- LogP: 9.37650
1-Propanethiol,3-[tris(octyloxy)silyl]- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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