Cas no 1433707-92-6 (1-(4-(TRIFLUOROMETHYL)THIAZOL-2-YL)CYCLOPROPANE-1-CARBONITRILE)
1433707-92-6 structure
Product Name:1-(4-(TRIFLUOROMETHYL)THIAZOL-2-YL)CYCLOPROPANE-1-CARBONITRILE
CAS No:1433707-92-6
MF:C8H5F3N2S
MW:218.198910474777
CID:5711592
PubChem ID:89544414
Update Time:2023-10-17
1-(4-(TRIFLUOROMETHYL)THIAZOL-2-YL)CYCLOPROPANE-1-CARBONITRILE Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-(TRIFLUOROMETHYL)THIAZOL-2-YL)CYCLOPROPANE-1-CARBONITRILE
- 1433707-92-6
- SCHEMBL14920305
- 1-[4-(trifluoromethyl)thiazol-2-yl]cyclopropanecarbonitrile
- Cyclopropanecarbonitrile, 1-[4-(trifluoromethyl)-2-thiazolyl]-
-
- Inchi： 1S/C8H5F3N2S/c9-8(10,11)5-3-14-6(13-5)7(4-12)1-2-7/h3H,1-2H2
- InChI Key： CATRHDIEDKWOJT-UHFFFAOYSA-N
- SMILES： S1C=C(C(F)(F)F)N=C1C1(C#N)CC1
Computed Properties
- Exact Mass: 218.01255383g/mol
- Monoisotopic Mass: 218.01255383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 289
- 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: 1.9
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- Density: 1.49±0.1 g/cm3(Predicted)
- Boiling Point: 301.7±42.0 °C(Predicted)
- pka: 0.27±0.10(Predicted)
1-(4-(TRIFLUOROMETHYL)THIAZOL-2-YL)CYCLOPROPANE-1-CARBONITRILE Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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