3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester supplier

Name
2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 350988-88-4
Density 1.232 g/cm³
Solubility
Melting Point 113-114℃
Formula C₁₃H₁₃NO₂S
Boiling Point 373.8 °C at 760 mmHg
Molecular Weight 247.31
Flash Point 179.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 2-Amino-5-methyl-4-phenylthiophene-3-carboxylicacid methyl ester;
PSA 80.56000
LogP 3.67350

3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester Specification

This chemical is called 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester, and its systematic name is methyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate. With the molecular formula of C₁₃H₁₃NO₂S, its molecular weight is 247.31. The CAS registry number of this chemical is 350988-88-4.

Other characteristics of the 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.78 Å²; (7)Index of Refraction: 1.615; (8)Molar Refractivity: 70.06 cm³; (9)Molar Volume: 200.6 cm³; (10)Polarizability: 27.77×10^-24cm³; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.232 g/cm³; (13)Flash Point: 179.9 °C; (14)Enthalpy of Vaporization: 62.11 kJ/mol; (15)Boiling Point: 373.8 °C at 760 mmHg; (16)Vapour Pressure: 8.72E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c2c(c1ccccc1)c(sc2N)C
2.InChI: InChI=1/C13H13NO2S/c1-8-10(9-6-4-3-5-7-9)11(12(14)17-8)13(15)16-2/h3-7H,14H2,1-2H3
3.InChIKey: AIHYNLWSPTZXGT-UHFFFAOYAX

Product Name

2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester Specification

Related Products

Hot Products