F1967-1355
Product ID: F1967-1355
Collection: Screening compounds, Building blocks
C12H11NO2S
CAS RN54001-15-9FormulaC12H11NO2SPurity95%+Statesolid
IUPAC name4-methyl-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nc(C)c(C(=O)O)s1
InChiInChI=1S/C12H11NO2S/c1-7-5-3-4-6-9(7)11-13-8(2)10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChi KeyOFTVPKQWPZKNMB-UHFFFAOYSA-N
MW233.29 [46.07...1702.72]
radaChart
Fsp30.17 [0...1.00]
cLogP3.09 [-11.42...28.50]
cLogSw0 [-19.49...5.44]
TPSA50.19 [0...519.07]
HBD0 [0...10]
HBA3 [0...28]
ROTB2 [0...72]
AROM2 [0...16]
DL0.87 [0.02...0.95]
UA stock: 4060.7 mg
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