Chemical Properties of 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid

2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid

InChI
InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)
InChI Key
JIEKMACRVQTPRC-UHFFFAOYSA-N
Formula
C17H12ClNO2S
SMILES
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
Molecular Weight1
329.81
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Physical Properties

Property Value Unit Source
ω 0.8212 Relay (1.0) Calculated Property
ΔfG° 59.32 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -92.41 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 142.01 kJ/mol Relay (1.0) Calculated Property
IE 8.06 eV Relay (1.0) Calculated Property
log10WS -4.97 Aq. Solubility Prediction
logPoct/wat 4.758 Crippen Calculated Property
McVol 229.420 ml/mol McGowan Calculated Property
Pc 2941.02 kPa Relay (1.0-beta) Calculated Property
Tboil 710.99 K Relay (1.0) Calculated Property
Tc 1035.88 K Relay (1.0) Calculated Property
Tfus 434.65 K Aq. Solubility Prediction
Vc 0.807 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Fentiazac, TBDMS. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Tetrabenazine M (desmethyl-HO-), monoacetylated. norbormide. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC. 6-Tetrahydrocannabinol, 7-hydroxy, TBDMS. Eseridine. Benz[a]acridine, 5,7-dimethyl.

Find more compounds similar to 2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid.

Sources

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