1H-Benzimidazole-2-ethanethioamide supplier

Name
1H-Benzimidazole-2-ethanethioamide(9CI)
EINECS 604-604-1
CAS No. 61689-98-3
Article Data2
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 171-173℃
Formula C₉H₉N₃S
Boiling Point 466.4 °C at 760 mmHg
Molecular Weight 191.25
Flash Point 235.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-2-ethanethioamide(9CI);1H-Benzimidazole-2-ethanethioamide
PSA 86.79000
LogP 2.09180

1H-Benzimidazole-2-ethanethioamide Specification

This chemical is called 1H-Benzimidazole-2-ethanethioamide, and its CAS registry number is 61689-98-3. With the molecular formula of C₉H₉N₃S, its molecular weight is 191.25. Additionally, its product category is Benzimidazole.

Other characteristics of the 1H-Benzimidazole-2-ethanethioamide can be summarised as followings: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 1.9; (6)ACD/BCF (pH 7.4): 4.17; (7)ACD/KOC (pH 5.5): 43.88; (8)ACD/KOC (pH 7.4): 96.33; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.15 Å²; (13)Index of Refraction: 1.774; (14)Molar Refractivity: 56.99 cm³; (15)Molar Volume: 136.5 cm³; (16)Polarizability: 22.59×10^-24cm³; (17)Surface Tension: 86.9 dyne/cm; (18)Density: 1.4 g/cm³; (19)Flash Point: 235.8 °C; (20)Enthalpy of Vaporization: 72.81 kJ/mol; (21)Boiling Point: 466.4 °C at 760 mmHg; (22)Vapour Pressure: 7.12E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C(N)Cc2nc1ccccc1n2
2.InChI: InChI=1/C9H9N3S/c10-8(13)5-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H2,10,13)(H,11,12)
3.InChIKey: KMURXFMBQTXIRR-UHFFFAOYAD

Product Name

1H-Benzimidazole-2-ethanethioamide(9CI)

1H-Benzimidazole-2-ethanethioamide Specification

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