Cas no 176590-86-6 (5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, phenylmethyl ester)
176590-86-6 structure
Product Name:5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, phenylmethyl ester
CAS No:176590-86-6
MF:C12H9F3N2O2S
MW:302.272271871567
CID:2197610
Update Time:2023-04-01
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, phenylmethyl ester
- 2-Amino-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
- JQHOCDZCRDHFNZ-UHFFFAOYSA-N
-
- Inchi： 1S/C12H9F3N2O2S/c13-12(14,15)9-8(20-11(16)17-9)10(18)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,16,17)
- InChI Key： JQHOCDZCRDHFNZ-UHFFFAOYSA-N
- SMILES： S1C(C(OCC2=CC=CC=C2)=O)=C(C(F)(F)F)N=C1N
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
Experimental Properties
- Density: 1.463±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.14 g/l) (25 o C),
5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, phenylmethyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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