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Name |
2H-Imidazole-2-thione,1,3-dihydro-1-phenyl- |
EINECS | N/A |
CAS No. | 17452-09-4 | Density | 1.31 g/cm3 |
PSA | 52.81000 | LogP | 2.53490 |
Solubility | N/A | Melting Point |
177 °C |
Formula | C9H8N2S | Boiling Point | 274.7 °C at 760 mmHg |
Molecular Weight | 176.242 | Flash Point | 119.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | R36/37/38:; | |
Synonyms |
4-Imidazoline-2-thione,1-phenyl- (7CI,8CI);Imidazole-2-thiol, 1-phenyl- (6CI);1-Phenyl-2,3-dihydroimidazole-2-thione;1-Phenyl-2-mercaptoimidazole;2-Mercapto-1-phenylimidazole;NSC 513730; |
Article Data | 11 |
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