3-BENZYLRHODANINE

The 4-Thiazolidinone,3-(phenylmethyl)-2-thioxo-, with the CAS registry number 10574-69-3, is also known as 3-Benzylrhodanine. This chemical's molecular formula is C₁₀H₉NOS₂ and molecular weight is 223.31. What's more, its IUPAC name is 3-Benzyl-2-sulfanylidene-1,3-thiazolidin-4-one. Its classification codes are: Drug/Therapeutic Agent. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in dark, cool and dry places.

Physical properties of 4-Thiazolidinone,3-(phenylmethyl)-2-thioxo- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.71; (6)ACD/BCF (pH 7.4): 10.71; (7)ACD/KOC (pH 5.5): 189.94; (8)ACD/KOC (pH 7.4): 189.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 77.7Ų; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 62.35 cm³; (15)Molar Volume: 160 cm³; (16)Polarizability: 24.71×10^-24 cm³; (17)Surface Tension: 71.1 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 167.3 °C; (20)Enthalpy of Vaporization: 59.79 kJ/mol; (21)Boiling Point: 353 °C at 760 mmHg; (22)Vapour Pressure: 3.7E-05 mmHg at 25 °C.

Uses of 4-Thiazolidinone,3-(phenylmethyl)-2-thioxo-: it can be used to produce 3-Benzyl-5-benzylidene-2-thioxo-thiazolidin-4-one by heating. It will need reagent AcONa and solvent Acetic acid. The yield is about 59%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)N(C(=S)S1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C10H9NOS2/c12-9-7-14-10(13)11(9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: ZFHVUMCTGGAWBM-UHFFFAOYSA-N 

The toxicity data is as follows: 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	300mg/kg (300mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 121, 1971. Link to PubMed
rat	LDLo	intraperitoneal	300mg/kg (300mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 558, 1969. Link to PubMed