Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Mercaptobenzimidazole-5-carboxylic acid |
EINECS | N/A |
CAS No. | 58089-25-1 | Density | 1.63 g/cm3 |
PSA | 100.97000 | LogP | 1.92370 |
Solubility | N/A | Melting Point |
>290℃ |
Formula | C8H6N2O2S | Boiling Point | 413 °C at 760 mmHg |
Molecular Weight | 194.214 | Flash Point | 203.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R36/38; R36/37/38; R22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-Mercapto-1H-benzimidazole-5-carboxylicacid;2-Mercaptobenzimidazole-5-carboxylic acid;5-Carboxy-2-mercaptobenzimidazole; |
Article Data | 9 |
The CAS register number of 2-Mercaptobenzimidazole-5-carboxylic acid is 58089-25-1. It also can be called as 2-Sulfanyl-1H-benzimidazole-6-carboxylic acid and the IUPAC name about this chemical is 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid. The molecular formula about this chemical is C8H6N2O2S and the molecular weight is 194.21. It belongs to the following product categories which include Benzimidazole; Pharmacetical; Carboxylic Acids; Imidazoles & Benzimidazoles; Imidazol & Benzimidazole; Carboxylic Acids; Imidazoles & Benzimidazoles and so on.
Physical properties about 2-Mercaptobenzimidazole-5-carboxylic acid are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 64.87Å2; (11)Index of Refraction: 1.783; (12)Molar Refractivity: 50.02 cm3; (13)Molar Volume: 118.7 cm3; (14)Polarizability: 19.83X10-24cm3; (15)Surface Tension: 100.3 dyne/cm; (16)Enthalpy of Vaporization: 70.19 kJ/mol; (17)Boiling Point: 413 °C at 760 mmHg; (18)Vapour Pressure: 1.46E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2c(c1)NC(=S)N2
(2)InChI: InChI=1/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
(3)InChIKey: DCRZVUIGGYMOBI-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
(5)Std. InChIKey: DCRZVUIGGYMOBI-UHFFFAOYSA-N