1H-Benzimidazole-2-thiol supplier

Name
1H-BENZOIMIDAZOLE-2-THIOL
EINECS 209-502-6
CAS No. 134469-07-1
Article Data6
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂S
Boiling Point 270.6 °C at 760 mmHg
Molecular Weight 150.204
Flash Point 117.5 °C
Transport Information
Appearance
Safety 13-3/7-50A
Risk Codes 24-51-54
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dihydro-2H-benzimidazole-2-thione;2-Mercaptobenzimidazole;Benzimidazole-2-thiol;
PSA 67.48000
LogP 1.85160

1H-Benzimidazole-2-thiol Specification

The 1H-Benzimidazole-2-thiol, with the CAS registry number 134469-07-1, is also known as Benzimidazole-2-thiol. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C₇H₆N₂S and molecular weight is 150.2. What's more, its systematic name is 1,3-dihydro-2H-benzimidazole-2-thione.

Physical properties of 1H-Benzimidazole-2-thiol are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.91; (8)ACD/KOC (pH 7.4): 1.9; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 43.74 cm³; (15)Molar Volume: 107.9 cm³; (16)Polarizability: 17.34×10^-24cm³; (17)Surface Tension: 72.9 dyne/cm; (18)Density: 1.39 g/cm³; (19)Flash Point: 117.5 °C; (20)Enthalpy of Vaporization: 50.88 kJ/mol; (21)Boiling Point: 270.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00677 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Nc1ccccc1N2;
(2)InChI: InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10);
(3)InChIKey: YHMYGUUIMTVXNW-UHFFFAOYSA-N;

Product Name

1H-BENZOIMIDAZOLE-2-THIOL

1H-Benzimidazole-2-thiol Specification

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