4-(2-THIENYL)-2-PYRIMIDINAMINE

The 2-Pyrimidinamine,4-(2-thienyl)- is an organic compound with the formula C₈H₇N₃S. The IUPAC name of this chemical is 4-Thiophen-2-ylpyrimidin-2-amine. With the CAS registry number 154321-60-5, it is also named as 4-(2-Thienyl)pyrimidin-2-amine. Besides, its molecular weight is 177.23.

The physical properties of 2-Pyrimidinamine,4-(2-thienyl)- are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.33; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 5.98; (5)ACD/BCF (pH 7.4): 6.16; (6)ACD/KOC (pH 5.5): 124.17; (7)ACD/KOC (pH 7.4): 127.92; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.26 Å²; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 49.64 cm³; (14)Molar Volume: 132.9 cm³; (15)Polarizability: 19.68×10^-24 cm³; (16)Surface Tension: 65.3 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 201.6 °C; (19)Enthalpy of Vaporization: 66.2 kJ/mol; (20)Boiling Point: 409.8 °C at 760 mmHg; (21)Vapour Pressure: 6.32E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(nc(c1sccc1)cc2)N
(2)InChI: InChI=1/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11)
(3)InChIKey: IXOUSLAWDHODKH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11)
(5)Std. InChIKey: IXOUSLAWDHODKH-UHFFFAOYSA-N