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5350-09-4

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Basic Information
CAS No.: 5350-09-4
Name: 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Article Data: 13
Molecular Structure:
Molecular Structure of 5350-09-4 (3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one)
Formula: C10H9NO2S2
Molecular Weight: 239.319
Synonyms: Rhodanine,3-(p-methoxyphenyl)- (6CI,7CI,8CI);3-(4-Methoxyphenyl)rhodanine;3-(p-Methoxyphenyl)rhodanine;NSC 3912;
Density: 1.44g/cm3
Boiling Point: 380.6 °C at 760 mmHg
Flash Point: 184 °C
PSA: 86.93000
LogP: 2.12490
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Specification

The 3-(4-Methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one, with CAS registry number 5350-09-4, has the systematic name of 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one. Its molecular weight is 239.31. And the chemical formula of this chemical is C10H9NO2S2.

Physical properties of 3-(4-Methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 86.93 Å2; (7)Index of Refraction: 1.699; (8)Molar Refractivity: 64.08 cm3; (9)Molar Volume: 165.8 cm3; (10)Polarizability: 25.4×10-24cm3; (11)Surface Tension: 72.1 dyne/cm; (12)Density: 1.44 g/cm3; (13)Flash Point: 184 °C; (14)Enthalpy of Vaporization: 62.88 kJ/mol; (15)Boiling Point: 380.6 °C at 760 mmHg; (16)Vapour Pressure: 5.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2SCC(=O)N2c1ccc(OC)cc1
(2)InChI: InChI=1/C10H9NO2S2/c1-13-8-4-2-7(3-5-8)11-9(12)6-15-10(11)14/h2-5H,6H2,1H3
(3)InChIKey: BEYLABROUJKUBN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H9NO2S2/c1-13-8-4-2-7(3-5-8)11-9(12)6-15-10(11)14/h2-5H,6H2,1H3
(5)Std. InChIKey: BEYLABROUJKUBN-UHFFFAOYSA-N