5-Methyl-3-phenylrhodanine supplier

Name
5-methyl-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
EINECS
CAS No. 1986-40-9
Article Data4
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NOS₂
Boiling Point 326.2 °C at 760 mmHg
Molecular Weight 223.32
Flash Point 151.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Rhodanine, 5-methyl-3-phenyl-;5-methyl-3-phenyl-2-sulfanylidene-thiazolidin-4-one;3-Phenyl-5-methylrodanin;5-methyl-3-phenyl-2-thio-2,4-Thiazolidinedione;
PSA
LogP

5-Methyl-3-phenylrhodanine Specification

The 5-Methyl-3-phenylrhodanine is an organic compound with the formula C₁₀H₉NOS₂. The IUPAC name of this chemical is 5-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one. With the CAS registry number 1986-40-9, it is also named as 4-thiazolidinone, 5-methyl-3-phenyl-2-thioxo-. The product's classification code is Drug / Therapeutic Agent.

Physical properties about 5-Methyl-3-phenylrhodanine are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22.09; (5)ACD/BCF (pH 7.4): 22.09; (6)ACD/KOC (pH 5.5): 318.99; (7)ACD/KOC (pH 7.4): 318.99; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 77.7 Å²; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 62.33 cm³; (13)Molar Volume: 160.6 cm³; (14)Polarizability: 24.71×10^-24cm³; (15)Surface Tension: 68.8 dyne/cm; (16)Density: 1.38 g/cm³; (17)Flash Point: 151.1 °C; (18)Enthalpy of Vaporization: 56.84 kJ/mol; (19)Boiling Point: 326.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000219 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2SC(C(=O)N2c1ccccc1)C
(2)InChI: InChI=1/C10H9NOS2/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: WKBKYNUBRWILMY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H9NOS2/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3
(5)Std. InChIKey: WKBKYNUBRWILMY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1125mg/kg (1125mg/kg)		Farmakologiya i Toksikologiya Vol. 24, Pg. 33, 1961.
rat	LDLo	intraperitoneal	300mg/kg (300mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 558, 1969.

Product Name

5-methyl-3-phenyl-2-thioxo-1,3-thiazolidin-4-one

5-Methyl-3-phenylrhodanine Specification

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