Cas no 592519-41-0 (Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-)
![Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/593000/592519-41-0x500.png)
592519-41-0 structure
Product Name:Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-
CAS No:592519-41-0
MF:C12H9F3INS
MW:383.171244382858
CID:339389
PubChem ID:23614506
Update Time:2025-04-19
Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-
- 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
- 5-Iodomethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
- 592519-41-0
- DTXSID50635169
- SCHEMBL5015456
-
- Inchi： 1S/C12H9F3INS/c1-7-10(6-16)18-11(17-7)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6H2,1H3
- InChI Key： YTIBGORSIKIVRD-UHFFFAOYSA-N
- SMILES： ICC1=C(C)N=C(C2C=CC(C(F)(F)F)=CC=2)S1
Computed Properties
- Exact Mass: 382.94487
- Monoisotopic Mass: 382.94525g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 279
- 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: 41.1?2
Experimental Properties
- PSA: 12.89
Thiazole, 5-(iodomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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