3-METHYLBENZO[B]THIOPHENE-2-CARBOXALDEHYDE

The Benzo[b]thiophene-2-carboxaldehyde,3-methyl-, with CAS registry number 22053-74-3, belongs to the following product categories: (1)Benzothiophenes; (2)Building Blocks; (3)Heterocyclic Building Blocks. It has the systematic name of 3-methyl-1-benzothiophene-2-carbaldehyde. This chemical is a kind of white to light yellow crystal powder. It should be kept cold. And the chemical formula of this chemical is C₁₀H₈OS.

Physical properties of Benzo[b]thiophene-2-carboxaldehyde,3-methyl-: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1020.78; (6)ACD/BCF (pH 7.4): 1020.78; (7)ACD/KOC (pH 5.5): 4959; (8)ACD/KOC (pH 7.4): 4959; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 54.05 cm³; (15)Molar Volume: 140.9 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 146.7 °C; (20)Enthalpy of Vaporization: 56.05 kJ/mol; (21)Boiling Point: 318.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00035 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzo[b]thiophene-2-carboxaldehyde,3-methyl- irritates to eyes, respiratory system and skin. You should avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2sc1ccccc1c2C
(2)InChI: InChI=1/C10H8OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
(3)InChIKey: DRZGHNXLEQHVHB-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H8OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
(5)Std. InChIKey: DRZGHNXLEQHVHB-UHFFFAOYSA-N