Chemical Properties of N-(4-([(anilinocarbothioyl)amino]methyl)-2,3,5,6-tetrachlorobenzyl)-n'-phenylthiourea (CAS 116401-11-7)

N-(4-([(anilinocarbothioyl)amino]methyl)-2,3,5,6-tetrachlorobenzyl)-n'-phenylthiourea

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InChI
InChI=1S/C22H18Cl4N4S2/c23-17-15(11-27-21(31)29-13-7-3-1-4-8-13)18(24)20(26)16(19(17)25)12-28-22(32)30-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,27,29,31)(H2,28,30,32)
InChI Key
YLWRZAMVTARRNK-UHFFFAOYSA-N
Formula
C22H18Cl4N4S2
SMILES
S=C(NCc1c(Cl)c(Cl)c(CNC(=S)Nc2ccccc2)c(Cl)c1Cl)Nc1ccccc1
Molecular Weight1
544.35
CAS
116401-11-7
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Physical Properties

Property Value Unit Source
Δf 967.40 kJ/mol Joback Calculated Property
Δfgas 598.75 kJ/mol Joback Calculated Property
Δfus 79.30 kJ/mol Joback Calculated Property
Δvap 131.45 kJ/mol Joback Calculated Property
log10WS -10.36 Crippen Calculated Property
logPoct/wat 7.273 Crippen Calculated Property
McVol 362.540 ml/mol McGowan Calculated Property
Pc 1851.52 kPa Joback Calculated Property
Tboil 1298.18 K Joback Calculated Property
Tc 1592.63 K Joback Calculated Property
Tfus 878.42 K Joback Calculated Property
Vc 1.351 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1051.23; 1197.92] J/mol×K [1298.18; 1592.63] Show Hide
Cp,gas 1051.23 J/mol×K 1298.18 Joback Calculated Property
Cp,gas 1070.12 J/mol×K 1347.26 Joback Calculated Property
Cp,gas 1090.77 J/mol×K 1396.33 Joback Calculated Property
Cp,gas 1113.52 J/mol×K 1445.41 Joback Calculated Property
Cp,gas 1138.73 J/mol×K 1494.48 Joback Calculated Property
Cp,gas 1166.74 J/mol×K 1543.56 Joback Calculated Property
Cp,gas 1197.92 J/mol×K 1592.63 Joback Calculated Property

Similar Compounds

Thiourea, N-phenyl-N'-(phenylmethyl)-. Pencycuron. Quinethazone. Fominoben. Oxazolam. (-)-Bunolol, PFB-TMS. Dehydrocytisine. vasicinone. Acebutolol. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (nor-HO-) 2AC. Norhydrocodone. Mirtazapine-M (HO-) AC. Silane, [(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1,7-diyl)bis(oxy)]bis[trimethyl-, [6aR-(6a«alpha»,7«alpha»,10a«beta»)]-. Erythromycin, ethyl carbonate.

Find more compounds similar to N-(4-([(anilinocarbothioyl)amino]methyl)-2,3,5,6-tetrachlorobenzyl)-n'-phenylthiourea.

Sources

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