Products Categories
CAS No.: | 38695-71-5 |
---|---|
Name: | METHYL 4-PHENYLTHIOPHENE-3-CARBOXYLATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H10O2S |
Molecular Weight: | 218.276 |
Synonyms: | Methyl4-phenyl-3-thienoate; |
Density: | 1.198 g/cm3 |
Melting Point: | 48-49°C |
Boiling Point: | 320.8 °C at 760 mmHg |
Flash Point: | 147.8 °C |
Hazard Symbols: | Xi |
PSA: | 54.54000 |
LogP: | 3.20170 |
What can I do for you?
Get Best Price
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