CAS No.58089-25-1,2-MERCAPTO-5-BENZIMIDAZOLECARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58089-25-1
Name:	2-MERCAPTO-5-BENZIMIDAZOLECARBOXYLIC ACID
Article Data:	9

Formula:	C₈H₆N₂O₂S
Molecular Weight:	194.214
Synonyms:	2-Mercapto-1H-benzimidazole-5-carboxylicacid;2-Mercaptobenzimidazole-5-carboxylic acid;5-Carboxy-2-mercaptobenzimidazole;
Density:	1.63 g/cm³
Melting Point:	>290℃
Boiling Point:	413 °C at 760 mmHg
Flash Point:	203.6 °C
Hazard Symbols:	Xn
Risk Codes:	R36/38; R36/37/38; R22
PSA:	100.97000
LogP:	1.92370

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Specification

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