2H-Benzimidazole-2-thione,5-bromo-1,3-dihydro- supplier

Name
5-BROMO-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-THIONE
EINECS
CAS No. 68468-39-3
Article Data15
CAS DataBase
Density 1.89 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂S
Boiling Point 319.3 °C at 760 mmHg
Molecular Weight 229.1
Flash Point 146.9 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 523982;5-Bromo-2-benzimidazolethiol;
PSA 63.67000
LogP 2.98800

2H-Benzimidazole-2-thione,5-bromo-1,3-dihydro- Specification

The 2H-Benzimidazole-2-thione,5-bromo-1,3-dihydro-, with the CAS registry number 68468-39-3, is also known as 5-Bromo-2-benzimidazolethiol. This chemical's molecular formula is C₇H₅BrN₂S and formula weight is 229.097. What's more, its IUPAC name is 5-bromo-1,3-dihydrobenzimidazole-2-thione.

Physical properties of 2H-Benzimidazole-2-thione,5-bromo-1,3-dihydro- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.85; (6)ACD/BCF (pH 7.4): 88.15; (7)ACD/KOC (pH 5.5): 863.87; (8)ACD/KOC (pH 7.4): 857.03; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)Polar Surface Area: 38.57 Å²; (12)Index of Refraction: 1.793; (13)Molar Refractivity: 51.46 cm³; (14)Molar Volume: 121 cm³; (15)Surface Tension: 84 dyne/cm; (16)Density: 1.89 g/cm³; (17)Flash Point: 146.9 °C; (18)Enthalpy of Vaporization: 56.09 kJ/mol; (19)Boiling Point: 319.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000342 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)NC(=S)N2
(2)InChI: InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
(3)InChIKey: HZTQEFLQSTYJSE-UHFFFAOYSA-N

Product Name

5-BROMO-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-THIONE

2H-Benzimidazole-2-thione,5-bromo-1,3-dihydro- Specification

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