3-HYDROXY-4-METHYL-2(3H)-THIAZOLETHIONE

The CAS register number of 2(3H)-Thiazolethione,3-hydroxy-4-methyl- is 49762-08-5. It also can be called as 3-Hydroxy-4-methylthiazoline-2-thione and the IUPAC name about this chemical is 3-hydroxy-4-methyl-1,3-thiazole-2-thione. The molecular formula about this chemical is C₄H₅NOS₂ and the molecular weight is 147.22. It belongs to the following product categories which include Thiol; Heterocyclic Compounds and so on.

Physical properties about 2(3H)-Thiazolethione,3-hydroxy-4-methyl- are: (1)ACD/LogP: 1.12; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 69.86 Å²; (6)Index of Refraction: 1.773; (7)Molar Refractivity: 38.74 cm³; (8)Molar Volume: 92.8 cm³; (9)Polarizability: 15.35x10^-24cm³; (10)Surface Tension: 90.9 dyne/cm; (11)Density: 1.58 g/cm³; (12)Flash Point: 116.9 °C; (13)Enthalpy of Vaporization: 58.97 kJ/mol; (14)Boiling Point: 269.7 °C at 760 mmHg; (15)Vapour Pressure: 0.000947 mmHg at 25 °C.

Preparation: this chemical can be prepared by carbonodithioic acid, O-ethyl S-[2-(hydroxyimino)propyl] ester. This reaction will need reagent of KOH and solvent of H₂O, CH₂Cl₂. The yield is about 36%.

Uses of 2(3H)-Thiazolethione,3-hydroxy-4-methyl-: it can be used to produce 3-diphenylacetoxy-4-methylthiazole-2(3H)-thione with diphenylacetyl chloride. This reaction will need solvent of CH₂Cl₂, pyridine. The reaction time is 1 hour with ambient temperature. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1S\C=C(/N1O)C
(2)InChI: InChI=1/C4H5NOS2/c1-3-2-8-4(7)5(3)6/h2,6H,1H3
(3)InChIKey: LOKDIDVKVVVVHK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H5NOS2/c1-3-2-8-4(7)5(3)6/h2,6H,1H3
(5)Std. InChIKey: LOKDIDVKVVVVHK-UHFFFAOYSA-N