Cas no 25681-48-5 (Thiocyanic acid, nonyl ester)
Thiocyanic acid, nonyl ester structure
Product Name:Thiocyanic acid, nonyl ester
CAS No:25681-48-5
MF:C10H19NS
MW:185.329561471939
CID:1427057
PubChem ID:15103094
Update Time:2025-04-20
Thiocyanic acid, nonyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid, nonyl ester
- 25681-48-5
- 1-nonyl thiocyanate
- SCHEMBL4958752
-
- Inchi： 1S/C10H19NS/c1-2-3-4-5-6-7-8-9-12-10-11/h2-9H2,1H3
- InChI Key： OLKYACJKIWRGPG-UHFFFAOYSA-N
- SMILES： S(C#N)CCCCCCCCC
Computed Properties
- Exact Mass: 185.12397
- Monoisotopic Mass: 185.12382078g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 125
- 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: 4.9
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 23.79
Thiocyanic acid, nonyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
25681-48-5 (Thiocyanic acid, nonyl ester) Related Products
- 628-83-1((butylsulfanyl)carbonitrile)
- 765-15-1(n-Dodecyl thiocyanate)
- 19942-78-0(n-Octyl thiocyanate)
- 32446-40-5(pentyl thiocyanate)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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