1-PHENYLIMIDAZOLINE-2-THIONE

The CAS register number of 2H-Imidazole-2-thione,1,3-dihydro-1-phenyl- is 17452-09-4. It also can be called as 1-Phenyl-2-mercaptoimidazole and the IUPAC name about this chemical is 3-phenyl-1H-imidazole-2-thione. The molecular formula about this chemical is C₉H₈N₂S and the molecular weight is 176.24.

Physical properties about 2H-Imidazole-2-thione,1,3-dihydro-1-phenyl- are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.13; (5)ACD/BCF (pH 7.4): 12.13; (6)ACD/KOC (pH 5.5): 207.71; (7)ACD/KOC (pH 7.4): 207.7; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.57 Å²; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 53.15 cm³; (14)Molar Volume: 133.5 cm³; (15)Polarizability: 21.07x10^-24cm³; (16)Surface Tension: 67.6 dyne/cm; (17)Density: 1.31 g/cm³; (18)Flash Point: 119.9 °C; (19)Enthalpy of Vaporization: 51.31 kJ/mol; (20)Boiling Point: 274.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00532 mmHg at 25 °C.

Uses of 2H-Imidazole-2-thione,1,3-dihydro-1-phenyl-: it can be used to produce 1-(1-phenylimidazol-2-ylthio)-4-methylphthalazine with 1-chloro-4-methyl-phthalazine. This reaction will need reagent of K₂CO₃ and solvent of acetone. The reaction time is 6 hours and it needs heating. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. 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=C2N(c1ccccc1)\C=C/N2
(2)InChI: InChI=1/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
(3)InChIKey: VXEUGLRMYAXWKM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H8N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
(5)Std. InChIKey: VXEUGLRMYAXWKM-UHFFFAOYSA-N