Methyl 2-methylthiophene-3-carboxylate supplier

Name
2-Methyl-3-thiophenecarboxylic acid methyl ester
EINECS
CAS No. 53562-51-9
Article Data10
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point
Formula C₇H₈O₂S
Boiling Point 202.412 °C at 760 mmHg
Molecular Weight 156.204
Flash Point 76.216 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-methylthiophene-3-carboxylate;
PSA 54.54000
LogP 1.84310

Methyl 2-methylthiophene-3-carboxylate Specification

The 3-Thiophenecarboxylicacid, 2-methyl-, methyl ester, with CAS registry number 53562-51-9, has the systematic name of methyl 2-methylthiophene-3-carboxylate. Besides this, it is also called 2-Methyl-3-thiophenecarboxylic acid methyl ester. And the chemical formula of this chemical is C₇H₈O₂S. Its molecular weight is 156.204.

Physical properties of 3-Thiophenecarboxylicacid, 2-methyl-, methyl ester: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 33; (7)ACD/KOC (pH 5.5): 424; (8)ACD/KOC (pH 7.4): 424; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 41.235 cm³; (15)Molar Volume: 133.081 cm³; (16)Polarizability: 16.347×10^-24cm³; (17)Surface Tension: 39.168 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 76.216 °C; (20)Enthalpy of Vaporization: 43.863 kJ/mol; (21)Boiling Point: 202.412 °C at 760 mmHg; (22)Vapour Pressure: 0.293 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1sccc1C(=O)OC
(2)InChI: InChI=1/C7H8O2S/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
(3)InChIKey: CCNDEWOBDKZGAD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H8O2S/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
(5)Std. InChIKey: CCNDEWOBDKZGAD-UHFFFAOYSA-N

Product Name

2-Methyl-3-thiophenecarboxylic acid methyl ester

Methyl 2-methylthiophene-3-carboxylate Specification

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