2-Thiophenepropanoicacid, methyl ester supplier

Name
Methyl-3-(2-thienyl)=propionate
EINECS
CAS No. 16862-05-8
Article Data14
CAS DataBase
Density 1.148g/cm³
Solubility
Melting Point
Formula C₈H₁₀O₂S
Boiling Point 228.2 °C at 760 mmHg
Molecular Weight 170.232
Flash Point 91.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenepropionicacid, methyl ester (8CI);3-(Thiophen-2-yl)propionic acid methyl ester;Methyl2-thiophenepropanoate;Methyl 2-thiophenepropionate;Methyl 3-(2-thienyl)propionate;Methyl3-(2-thienyl)propanoate;
PSA 54.54000
LogP 1.85370

2-Thiophenepropanoicacid, methyl ester Specification

The 2-Thiophenepropanoicacid, methyl ester, with CAS registry number 16862-05-8, belongs to the following product categories: (1)Aromatics; (2)Sulfur & Selenium Compounds. It has the systematic name of methyl 3-(thiophen-2-yl)propanoate. This chemical is a kind of colourless oil. And the chemical formula of this chemical is C₈H₁₀O₂S.

Physical properties of 2-Thiophenepropanoicacid, methyl ester: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.44; (6)ACD/BCF (pH 7.4): 17.44; (7)ACD/KOC (pH 5.5): 269.39; (8)ACD/KOC (pH 7.4): 269.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 45.22 cm³; (15)Molar Volume: 148.2 cm³; (16)Polarizability: 17.92×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.148 g/cm³; (19)Flash Point: 91.8 °C; (20)Enthalpy of Vaporization: 46.48 kJ/mol; (21)Boiling Point: 228.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0744 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCc1sccc1
(2)InChI: InChI=1/C8H10O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
(3)InChIKey: USTRJLXKHMURIF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
(5)Std. InChIKey: USTRJLXKHMURIF-UHFFFAOYSA-N

Product Name

Methyl-3-(2-thienyl)=propionate

2-Thiophenepropanoicacid, methyl ester Specification

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