4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[2-(4-methylphenyl)diazenyl]-2-thioxo- supplier

Name
1-(2-chlorophenyl)-3-(2-methylphenyl)-5-[(4-methylphenyl)hydrazono]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
EINECS
CAS No. 76153-37-2
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₂₄H₁₉ClN₄O₂S
Boiling Point 577.5 °C at 760 mmHg
Molecular Weight 462.959
Flash Point 303.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 295742;4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[(4-methylphenyl)azo]-2-thioxo-(9CI);
PSA
LogP

4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[2-(4-methylphenyl)diazenyl]-2-thioxo- Specification

The 4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[2-(4-methylphenyl)diazenyl]-2-thioxo-, with the CAS registry number 76153-37-2, is also known as 1-(2-Chlorophenyl)-3-(2-methylphenyl)-5-[(4-methylphenyl)hydrazono]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. This chemical's molecular formula is C₂₄H₁₉ClN₄O₂S and molecular weight is 462.9513. What's more, its IUPAC name is 1-(2-Chlorophenyl)-3-(2-methylphenyl)-5-[(4-methylphenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

Physical properties about 4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[2-(4-methylphenyl)diazenyl]-2-thioxo-: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 88.59; (6)ACD/BCF (pH 7.4): 27.08; (7)ACD/KOC (pH 5.5): 328.96; (8)ACD/KOC (pH 7.4): 100.56; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 88.31 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 130.24 cm³; (15)Molar Volume: 346.3 cm³; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 303.1 °C; (19)Enthalpy of Vaporization: 86.45 kJ/mol ; (20)Boiling Point: 577.5 °C at 760 mmHg; (21)Vapour Pressure: 2.46E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1N3C(=O)C(=NNc2ccc(cc2)C)C(=O)N(C3=S)c4ccccc4C
(2)InChI: InChI=1/C24H19ClN4O2S/c1-15-11-13-17(14-12-15)26-27-21-22(30)28(19-9-5-3-7-16(19)2)24(32)29(23(21)31)20-10-6-4-8-18(20)25/h3-14,26H,1-2H3
(3)InChIKey: ZLQAPXSFZULQII-UHFFFAOYAG

Product Name

1-(2-chlorophenyl)-3-(2-methylphenyl)-5-[(4-methylphenyl)hydrazono]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-(2-methylphenyl)-5-[2-(4-methylphenyl)diazenyl]-2-thioxo- Specification

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