Cas no 64047-45-6 (Benzene,1-(dodecyloxy)-4-isothiocyanato-)
64047-45-6 structure
Product Name:Benzene,1-(dodecyloxy)-4-isothiocyanato-
CAS No:64047-45-6
MF:C19H29NOS
MW:319.504664182663
CID:517611
Update Time:2026-04-29
Benzene,1-(dodecyloxy)-4-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(dodecyloxy)-4-isothiocyanato-
- 1-dodecoxy-4-isothiocyanatobenzene
- 4-Dodecyloxyphenyl isothiocyanate
-
Computed Properties
- Exact Mass: 319.19717
- Monoisotopic Mass: 319.197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 13
- Complexity: 294
- 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: 9
- Topological Polar Surface Area: 53.7A^2
Experimental Properties
- Density: 0.97
- Boiling Point: 432.6°Cat760mmHg
- Flash Point: 215.4°C
- Refractive Index: 1.514
- PSA: 21.59
- LogP: 6.72060
Benzene,1-(dodecyloxy)-4-isothiocyanato- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
64047-45-6 (Benzene,1-(dodecyloxy)-4-isothiocyanato-) Related Products
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