Name: 5-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
SKU: 1505-62-0

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Basic Information

Molecular Structure:
CAS No.:	1505-62-0
Name:	5-METHYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
Article Data:	10

Formula:	C₁₀H₈O₂S
Molecular Weight:	192.238
Synonyms:	5-Methylbenzo(b)thiophene-2-carboxylic acid;
Density:	1.355 g/cm³
Melting Point:	218.0-219.5 °C
Boiling Point:	386.1 °C at 760 mmHg
Flash Point:	187.3 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	65.54000
LogP:	2.90790

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Specification

The Benzo[b]thiophene-2-carboxylicacid, 5-methyl-, with the CAS registry number 1505-62-0, is also known as 5-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 5-Methyl-1-benzothiophene-2-carboxylic acid.

Physical properties about Benzo[b]thiophene-2-carboxylicacid, 5-methyl- are: (1)ACD/LogP: 4.52; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 17.52; (6)ACD/BCF (pH 7.4): 1.34; (7)ACD/KOC (pH 5.5): 74.99; (8)ACD/KOC (pH 7.4): 5.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 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.

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 protective clothing, 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(O)c2sc1ccc(cc1c2)C
(2) InChI: InChI=1/C10H8O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
(3) InChIKey: OUFWTHMQVXSBCF-UHFFFAOYAS