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Name |
Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]- |
EINECS | N/A |
CAS No. | 152567-82-3 | Density | 1.325 g/cm3 |
PSA | 82.61000 | LogP | 2.98570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H10O3S | Boiling Point | 470.9 °C at 760 mmHg |
Molecular Weight | 246.287 | Flash Point | 238.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[(5-Methylthiophen-2-yl)carbonyl]benzoic acid;5-Methyl-2-thienylcarbonyl benzoic acid;2-[(5-Methyl-2-thienyl)carbonyl]benzoic acid; |
Article Data | 6 |
The Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]-, with the CAS registry number 152567-82-3, is also known as 2-[(5-Methyl-2-thienyl)carbonyl]benzoic acid. This chemical's molecular formula is C13H10O3S and molecular weight is 246.28. What's more, its systematic name is 5-Methyl-2-thienylcarbonyl benzoic acid.
Physical properties of Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.18; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 71.61 Å2; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 66.18 cm3; (14)Molar Volume: 185.8 cm3; (15)Polarizability: 26.23×10-24cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Density: 1.325 g/cm3; (18)Flash Point: 238.6 °C; (19)Enthalpy of Vaporization: 77.28 kJ/mol; (20)Boiling Point: 470.9 °C at 760 mmHg; (21)Vapour Pressure: 1.13E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1C(=O)O)c2sc(cc2)C
(2)InChI: InChI=1S/C13H10O3S/c1-8-6-7-11(17-8)12(14)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3,(H,15,16)
(3)InChIKey: IDTRGLSKMOUSHE-UHFFFAOYSA-N