Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]- supplier

Name
5-METHYL-2-THIENYLCARBONYL BENZOIC ACID
EINECS
CAS No. 152567-82-3
Article Data6
CAS DataBase
Density 1.325 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀O₃S
Boiling Point 470.9 °C at 760 mmHg
Molecular Weight 246.287
Flash Point 238.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(5-Methylthiophen-2-yl)carbonyl]benzoic acid;5-Methyl-2-thienylcarbonyl benzoic acid;2-[(5-Methyl-2-thienyl)carbonyl]benzoic acid;
PSA 82.61000
LogP 2.98570

Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]- Specification

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

Product Name

5-METHYL-2-THIENYLCARBONYL BENZOIC ACID

Benzoic acid, 2-[(5-methyl-2-thienyl)carbonyl]- Specification

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