Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Methylbenzo[b]thiophene-2-carboxylic acid |
EINECS | N/A |
CAS No. | 3133-78-6 | Density | 1.355 g/cm3 |
PSA | 65.54000 | LogP | 2.90790 |
Solubility | N/A | Melting Point |
241-244 °C |
Formula | C10H8O2S | Boiling Point | 379.9 °C at 760 mmHg |
Molecular Weight | 192.238 | Flash Point | 183.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methyl-benzo[b]thiophene-2-carboxylicacid;3-Methylbenzothiophene-2-carboxylic acid; |
Article Data | 12 |
The CAS register number of 3-Methylbenzo[b]thiophene-2-carboxylic acid is 3133-78-6. It also can be called as Benzo[b]thiophene-2-carboxylicacid, 3-methyl- and the systematic name about this chemical is 3-methyl-1-benzothiophene-2-carboxylic acid. The molecular formula about this chemical is C10H8O2S and the molecular weight is 192.23432.
Physical properties about 3-Methylbenzo[b]thiophene-2-carboxylic acid are: (1)ACD/LogP: 4.52; (2)ACD/LogD (pH 5.5): 2.22; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 8.4; (5)ACD/BCF (pH 7.4): 1.08; (6)ACD/KOC (pH 5.5): 37.32; (7)ACD/KOC (pH 7.4): 4.81; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.54Å2; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 54.23 cm3; (14)Molar Volume: 141.8 cm3; (15)Polarizability: 21.5x10-24cm3; (16)Surface Tension: 59.5 dyne/cm; (17)Enthalpy of Vaporization: 66.24 kJ/mol; (18)Boiling Point: 379.9 °C at 760 mmHg; (19)Vapour Pressure: 1.9E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2sc1ccccc1c2C
(2)InChI: InChI=1/C10H8O2S/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
(3)InChIKey: YVKLUKXESFJRCE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H8O2S/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)
(5)Std. InChIKey: YVKLUKXESFJRCE-UHFFFAOYSA-N