2H-Imidazole-2-thione,1-(4-bromophenyl)-1,3-dihydro- supplier

Name
1-(4-BROMOPHENYL)IMIDAZOLINE-2-THIONE
EINECS
CAS No. 17452-23-2
Density 1.74 g/cm³
Solubility
Melting Point 244 °C
Formula C₉H₇BrN₂S
Boiling Point 342.3 °C at 760 mmHg
Molecular Weight 255.138
Flash Point 160.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Imidazole-2-thiol,1-(p-bromophenyl)- (8CI);1-(4-bromophenyl)-1,3-dihydro-2H-imidazole-2-thione;1-(4-Bromophenyl)-1H-imidazole-2-thiol;2H-Imidazole-2-thione, 1-(4-bromophenyl)-1,3-dihydro-;
PSA 52.81000
LogP 3.29740

2H-Imidazole-2-thione,1-(4-bromophenyl)-1,3-dihydro- Specification

The 2H-Imidazole-2-thione,1-(4-bromophenyl)-1,3-dihydro-, with the CAS registry number 17452-23-2, has the systematic name of 1-(4-bromophenyl)-1,3-dihydro-2H-imidazole-2-thione. It is a kind of irritant chemical, and should be stored in the dry and cool environment. The molecular formula of the chemical is C₉H₇BrN₂S.

The characteristics of 2H-Imidazole-2-thione,1-(4-bromophenyl)-1,3-dihydro- are as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.81; (6)ACD/BCF (pH 7.4): 46.81; (7)ACD/KOC (pH 5.5): 546.09; (8)ACD/KOC (pH 7.4): 546.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 60.87 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 24.13×10^-24cm³; (17)Surface Tension: 76.9 dyne/cm; (18)Density: 1.74 g/cm³; (19)Flash Point: 160.8 °C; (20)Enthalpy of Vaporization: 58.61 kJ/mol; (21)Boiling Point: 342.3 °C at 760 mmHg; (22)Vapour Pressure: 7.58E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C2N(c1ccc(Br)cc1)\C=C/N2
(2)InChI: InChI=1/C9H7BrN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
(3)InChIKey: ZKPXIPSWVWPFDF-UHFFFAOYAO

Product Name

1-(4-BROMOPHENYL)IMIDAZOLINE-2-THIONE

2H-Imidazole-2-thione,1-(4-bromophenyl)-1,3-dihydro- Specification

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