| Identification | |
| Name: | 3-(4-Methylphenyl)-2-thioxo-1,3-thiazolidin-4-one |
| 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); |
| CAS: | 3919-81-1 |
| Molecular Formula: | C10H9NOS2 |
| Molecular Weight: | 223.3146 |
| InChI: | InChI=1/C10H9NOS2/c1-7-2-4-8(5-3-7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 168.1°C |
| Boiling Point: | 354.4°Cat760mmHg |
| Density: | 1.39g/cm3 |
| Refractive index: | 1.709 |
| 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 . |
| Flash Point: | 168.1°C |
| Safety Data | |
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