Carbimazole

The Carbimazole, with the CAS registry number 22232-54-8, is also known as Neomercazole. Its EINECS registry number is 244-854-4. This chemical's molecular formula is C₇H₁₀N₂O₂S and molecular weight is 186.23. Its IUPAC name is called ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate. Carbimazole is used to treat hyperthyroidism. Carbimazole is a pro-drug as after absorption it is converted to the active form, methimazole. Therapy for hyperthyroidism generally starts at a high daily dose of 15 - 40mg continued until the patient has normal thyroid function, and then reduced to a maintenance dose of 5 - 15mg. Treatment is usually given for 12 - 18 months followed by a trial withdraw. The product should be sealed and stored in cool and dry place.

Physical properties of Carbimazole: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.34; (4)ACD/BCF (pH 5.5): 1.06; (5)ACD/BCF (pH 7.4): 1.06; (6)ACD/KOC (pH 5.5): 36.38; (7)ACD/KOC (pH 7.4): 36.38; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 49.05 cm³; (13)Molar Volume: 141.1 cm³; (14)Surface Tension: 60.2 dyne/cm; (15)Density: 1.31 g/cm³; (16)Flash Point: 99.2 °C; (17)Enthalpy of Vaporization: 47.73 kJ/mol; (18)Boiling Point: 240.4 °C at 760 mmHg; (19)Vapour Pressure: 0.038 mmHg at 25°C.

Preparation: this chemical can be prepared from amination, cyclization and condensation reaction. This reaction's raw raw materials are ethanediol and chlorinated acetaldehyde. It also will need armour amine, methanol, hydrochloric acid, thiocyanate potassium, pyridine and chlorine formic acid ethyl ester.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes. May cause sensitisation by skin contact. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)N1C=CN(C1=S)C
(2)InChI: InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3
(3)InChIKey: CFOYWRHIYXMDOT-UHFFFAOYSA-N

The toxicity data is as follows: