3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one supplier

Name
3-(p-tolyl)-rhodanin
EINECS
CAS No. 3919-81-1
Article Data15
CAS DataBase
Density 1.39g/cm³
Solubility
Melting Point
Formula C₁₀H₉NOS₂
Boiling Point 354.4 °C at 760 mmHg
Molecular Weight 223.32
Flash Point 168.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Rhodanine, 3-(p-tolyl)-;4-27-00-03191 (Beilstein Handbook Reference);3-(4-methylphenyl)-2-sulfanylidene-thiazolidin-4-one;3-(4-Methylphenyl)rhodanine;3-(4-Methylphenyl)-2-thioxo-4-thiazolidinone;3-(p-Tolyl)rhodanine;4-Thiazolidinone, 3-(4-methylphenyl)-2-thioxo- (9CI);
PSA 77.70000
LogP 2.42470

3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one Specification

The 3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one with cas registry number of 3919-81-1, is also called Rhodanine, 3-(p-tolyl)- ; 4-27-00-03191 (Beilstein Handbook Reference) ; 3-(4-Methylphenyl)rhodanine .

Physical properties of 3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one : (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.89; (6)ACD/BCF (pH 7.4): 20.89; (7)ACD/KOC (pH 5.5): 306.45; (8)ACD/KOC (pH 7.4): 306.45; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 77.7 Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 62.34 cm³; (15)Molar Volume: 159.6 cm³; (16)Polarizability: 24.71×10^-24cm³; (17)Surface Tension: 70.8 dyne/cm; (18)Enthalpy of Vaporization: 59.94 kJ/mol; (19)Vapour Pressure: 3.37E-05 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:S=C2SCC(=O)N2c1ccc(cc1)C; (2)InChI:InChI=1/C10H9NOS2/c1-7-2-4-8(5-3-7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3; (3)InChIKey:UFIUHRONJXVXHC-UHFFFAOYAK ; (4)Std. InChI:InChI=1S/C10H9NOS2/c1-7-2-4-8(5-3-7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3; (5)Std. InChIKey:UFIUHRONJXVXHC-UHFFFAOYSA-N .

Product Name

3-(p-tolyl)-rhodanin

3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one Specification

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