6-Methylbenzo[b]thiophene-2-carboxylic acid supplier

Name
6-Methylbenzo[b]thiophene-2-carboxylic acid
EINECS
CAS No. 1467-86-3
Article Data4
CAS DataBase
Density 1.355 g/cm³
Solubility
Melting Point 243-244 °C
Formula C₁₀H₈O₂S
Boiling Point 386.1 °C at 760 mmHg
Molecular Weight 192.238
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Methylbenzo[b]thiophene-2-carboxylic acid;
PSA 65.54000
LogP 2.90790

6-Methylbenzo[b]thiophene-2-carboxylic acid Specification

The Benzo[b]thiophene-2-carboxylic acid, 6-methyl-, with the CAS registry number 1467-86-3, is also known as 6-Methylbenzo[b]thiophene-2-carboxylic acid. This chemical's molecular formula is C₁₀H₈O₂S and molecular weight is 192.2343. What's more, its systematic name is called 6-Methyl-1-benzothiophene-2-carboxylic acid.

Physical properties about Benzo[b]thiophene-2-carboxylic acid, 6-methyl- are: (1)ACD/LogP: 4.44; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 16.87; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 74.95; (8)ACD/KOC (pH 7.4): 5.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.54 Å²; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 54.23 cm³; (15)Molar Volume: 141.8 cm³; (16)Polarizability: 21.5×10^-24 cm³; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 66.98 kJ/mol; (21)Boiling Point: 386.1 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-06 mmHg at 25 °C; (23)Melting Point: 243-244 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2ccc(C)cc2s1
(2) InChI: InChI=1/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
(3) InChIKey: KQRBOHOKLNORTA-UHFFFAOYAU

Product Name

6-Methylbenzo[b]thiophene-2-carboxylic acid

6-Methylbenzo[b]thiophene-2-carboxylic acid Specification

Related Products

Hot Products