Cas no 32446-40-5 (pentyl thiocyanate)
pentyl thiocyanate structure
Product Name:pentyl thiocyanate
pentyl thiocyanate Chemical and Physical Properties
Names and Identifiers
-
- pentyl thiocyanate
- N-AMYL THIOCYANATE
- thiocyanic acid, pentyl ester
-
- Inchi： 1S/C6H11NS/c1-2-3-4-5-8-6-7/h2-5H2,1H3
- InChI Key： HHAHSQJCFOPSFV-UHFFFAOYSA-N
- SMILES： S(C#N)CCCCC
Computed Properties
- Exact Mass: 129.06133
- Monoisotopic Mass: 129.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 81.8
- 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: 2.6
- Topological Polar Surface Area: 49.1A^2
Experimental Properties
- Density: 0.955 (estimate)
- Boiling Point: 165°C (estimate)
- Flash Point: 75.8 ℃
- Refractive Index: 1.5500 (estimate)
- PSA: 23.79
pentyl thiocyanate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
32446-40-5 (pentyl thiocyanate) Related Products
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