BENZO[B]THIOPHENE-2-CARBOXYLIC HYDRAZIDE

The Benzo[b]thiophene-2-carboxylicacid, hydrazide, with the CAS registry number 175135-07-6, is also known as Thianaphthene-2-carboxylic hydrazide. This chemical's molecular formula is C₉H₈N₂OS and molecular weight is 192.2376. What's more, its systematic name is called 1-Benzothiophene-2-carbohydrazide.

Physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.77; (6)ACD/BCF (pH 7.4): 39.84; (7)ACD/KOC (pH 5.5): 485.72; (8)ACD/KOC (pH 7.4): 486.54; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å²; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 55 cm³; (15)Molar Volume: 140.5 cm³; (16)Polarizability: 21.8×10^-24 cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.367 g/cm³; (19)Melting Point: 176-178 °C.

Uses of Benzo[b]thiophene-2-carboxylicacid, hydrazide: it is used to produce other chemicals. For example, it is used to produce 4-Allyl-3-benzo[b]thiophen-2-yl-5-(biphenyl-2-ylmethylsulfanyl)-4H-[1,2,4]triazole.

The reaction needs reagent polymer-bound Perhydro-1,3,2-diazaphosphorine derivative and solvents Dimethylformamide, Dioxane, H₂O, Acetonitrile. This reaction will occur at temperature of 85 °C for 16 hours. The yield is 38 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2sc1ccccc1c2)NN
(2) InChI: InChI=1/C9H8N2OS/c10-11-9(12)8-5-6-3-1-2-4-7(6)13-8/h1-5H,10H2,(H,11,12)
(3) InChIKey: ZXKPFIRPUUAAPQ-UHFFFAOYAC