3-Amino-5-methyl-thiophene-2-carbonitrile

The 3-Amino-5-methyl-thiophene-2-carbonitrile, with the CAS registry number 83060-73-5, is also known as 2-Thiophenecarbonitrile, 3-amino-5-methyl-. This chemical's molecular formula is C₆H₆N₂S and molecular weight is 138.19024. What's more, its IUPAC name is 3-Amino-5-methylthiophene-2-carbonitrile.

Physical properties about 3-Amino-5-methyl-thiophene-2-carbonitrile are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 152; (8)ACD/KOC (pH 7.4): 152; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 78.05 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 37.702 cm³; (15)Molar Volume: 109.463 cm³; (16)Polarizability: 14.946×10^-24 cm³; (17)Surface Tension: 59.578 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 168.758 °C; (20)Enthalpy of Vaporization: 60.058 kJ/mol; (21)Boiling Point: 355.43 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3-Amino-5-methyl-thiophene-2-carbonitrile: this chemical is prepared by 3-Amino-5-methylthiophene-2-thiocarboxamide. The reaction needs reagent Bis(tri-n-butyltin) oxide and solvent Benzene. The reaction time is 30 minutes. The yield is about 93 %.

Uses of 3-Amino-5-methyl-thiophene-2-carbonitrile: it is used to produce other chemicals. For example, it is used to produce 2, 4-Diamino-6-methylthieno[3, 2-d]pyrimidine by heating. This reaction needs reagent Sodium ethoxide and solvent Ethanol. The reaction time is 60 hours. The yield is about 55 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(N)c(C#N)s1
(2) InChI: InChI=1/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3
(3) InChIKey: QRYUNVRWSZIEDZ-UHFFFAOYAA