Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester |
EINECS | N/A |
CAS No. | 38695-71-5 | Density | 1.198 g/cm3 |
PSA | 54.54000 | LogP | 3.20170 |
Solubility | N/A | Melting Point |
48-49°C |
Formula | C12H10O2S | Boiling Point | 320.8 °C at 760 mmHg |
Molecular Weight | 218.276 | Flash Point | 147.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl4-phenyl-3-thienoate; |
Article Data | 3 |
The 3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester, with CAS registry number 38695-71-5, has the systematic name of methyl 4-phenylthiophene-3-carboxylate. And the chemical formula of this chemical is C12H10O2S. Its molecular weight is 218.27.
Physical properties of 3-Thiophenecarboxylicacid, 4-phenyl-, methyl ester: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.54 Å2; (9)Index of Refraction: 1.584; (10)Molar Refractivity: 61 cm3; (11)Molar Volume: 182 cm3; (12)Polarizability: 24.18×10-24cm3; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.198 g/cm3; (15)Flash Point: 147.8 °C; (16)Enthalpy of Vaporization: 56.24 kJ/mol; (17)Boiling Point: 320.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000311 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cscc1c2ccccc2
(2)InChI: InChI=1/C12H10O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3
(3)InChIKey: AJMHUFVILVTYTG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H10O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3
(5)Std. InChIKey: AJMHUFVILVTYTG-UHFFFAOYSA-N