2,3-Thiophenedicarboxylicacid, 4-amino-, 2,3-dimethyl ester (62947-31-3)

The Dimethyl 4-aminothiophene-2,3-dicarboxylate, with the CAS registry number 62947-31-3, is also known as 4-Amino-thiophene-2,3-dicarboxylic acid dimethyl ester. This chemical's molecular formula is C₈H₉NO₄S and molecular weight is 215.23. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl 4-aminothiophene-2,3-dicarboxylate.

Physical properties about this chemical are: (1) ACD/LogP: 1.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.15; (4) ACD/LogD (pH 7.4): 1.15; (5) ACD/BCF (pH 5.5): 4.38; (6) ACD/BCF (pH 7.4): 4.38; (7) ACD/KOC (pH 5.5): 100.18; (8) ACD/KOC (pH 7.4): 100.18; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 84.08 Å²; (13) Index of Refraction: 1.582; (14) Molar Refractivity: 52.41 cm³; (15) Molar Volume: 156.9 cm³; (16) Surface Tension: 54.2 dyne/cm; (17) Density: 1.371 g/cm³; (18) Flash Point: 165.8 °C; (19) Enthalpy of Vaporization: 59.51 kJ/mol; (20) Boiling Point: 350.5 °C at 760 mmHg; (21) Vapour Pressure: 4.37E-05 mmHg at 25 °C.

When you are dealing with Dimethyl 4-aminothiophene-2,3-dicarboxylate, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it when you are using this chemical.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C1=C(SC=C1N)C(=O)OC
(2) InChI: InChI=1S/C8H9NO4S/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2/h3H,9H2,1-2H3
(3) InChIKey: XQPDCUCAKYNVAO-UHFFFAOYSA-N