PTH-GLYCINE

The 4-Imidazolidinone,3-phenyl-2-thioxo-, with the CAS registry number 2010-15-3, is also known as Phenylthiohydantoin. It belongs to the product categories of Amino Acids; Amino Acids (N-Protected); Biochemistry; PTH-Amino Acids; Protein Sequencing; Protein Structural Analysis; Reagents for Protein Sequencing. Its EINECS number is 217-927-3. This chemical's molecular formula is C₉H₈N₂OS and molecular weight is 192.24. What's more, its systematic name is 3-phenyl-2-sulfanylideneimidazolidin-4-one. Its classification code is Drug / Therapeutic Agent. Its storage temperature is -20°C.

Physical properties of 4-Imidazolidinone,3-phenyl-2-thioxo- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 2.84; (7)ACD/KOC (pH 5.5): 73.49; (8)ACD/KOC (pH 7.4): 73.48; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 53.36 cm³; (15)Molar Volume: 137.3 cm³; (16)Polarizability: 21.15×10^-24cm³; (17)Surface Tension: 72.3 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 130.5 °C; (20)Enthalpy of Vaporization: 53.16 kJ/mol; (21)Boiling Point: 292.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25°C.

Preparation of 4-Imidazolidinone,3-phenyl-2-thioxo-: this chemical can be prepared by 5-phenyl-4-thio-hydantoic acid ethyl ester by heating. This reaction will need reagent aq. HCl and solvent ethanol. The yield is about 100%.

Uses of 4-Imidazolidinone,3-phenyl-2-thioxo-: it can be used to produce 3-phenyl-2-methylmercaptohydantoin at the temperature of 40 °C. It will need reagent K₂CO₃ and solvent acetonitrile with the reaction time of 14 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)N(C(=S)N1)C2=CC=CC=C2
(2)InChI: InChI=1S/C9H8N2OS/c12-8-6-10-9(13)11(8)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)
(3)InChIKey: ZZRIQDWDJVLELF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)		National Technical Information Service. Vol. AD691-490.
mouse	LD50	oral	155mg/kg (155mg/kg)		Farmatsevtichnii Zhurnal Vol. 17(1), Pg. 36, 1962.