Cas no 19942-78-0 (n-Octyl thiocyanate)
n-Octyl thiocyanate structure
Product Name:n-Octyl thiocyanate
n-Octyl thiocyanate Chemical and Physical Properties
Names and Identifiers
-
- n-Octyl thiocyanate
- Thiocyanic acid, octyl ester
- octyl thiocyanate
- 1-thiocyanatooctane
- EINECS 243-436-9
- Octyl rhodanate
- octylsulfanyl cyanate
- Oktylthiokyanat
- octylrhodanate
- thiocyanicacid,octylester
- 19942-78-0
- AI3-01125
- AKOS006274564
- Q27277659
- F55XC7W6Y5
- FT-0637930
- SCHEMBL4935480
- 1-OCTYL THIOCYANATE
- NSC 100743
- BRN 1755531
- DTXSID90173717
- NS00026485
- octylthiocyanate
- NSC-100743
- Oktylthiokyanat [Czech]
- UNII-F55XC7W6Y5
- NSC100743
- 243-436-9
- DTXCID7096208
- DB-045039
-
- Inchi： 1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3
- InChI Key： FGVYCHQRRXDRAR-UHFFFAOYSA-N
- SMILES： S(C#N)CCCCCCCC
Computed Properties
- Exact Mass: 171.10800
- Monoisotopic Mass: 171.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 114
- 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: 49.1A^2
- XLogP3: 4.3
Experimental Properties
- Density: 0.8625
- Melting Point: 21℃
- Boiling Point: 170℃
- Flash Point: 184℃
- Refractive Index: 1.4649
- PSA: 49.09000
- LogP: 3.56118
n-Octyl thiocyanate Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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