4-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine (53826-89-4)

The CAS register number of 4-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine is 53826-89-4. It also can be called as thieno[3,4-d]pyrimidine, 4-chloro-5,7-dihydro- and the systematic name about this chemical is 4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine. The molecular formula about this chemical is C₆H₅ClN₂S and molecular weight is 172.64. It belongs to the Chiral Chemicals.

Physical properties about 4-Chloro-5,7-dihydrothieno[3,4-d]pyrimidine are: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.31; (4)#H bond acceptors: 2; (5)Polar Surface Area: 51.08Ų; (6)Index of Refraction: 1.661; (7)Molar Refractivity: 43.05 cm³; (8)Molar Volume: 116.4 cm³; (9)Polarizability: 17.06x10^-24cm³; (10)Surface Tension: 67.1 dyne/cm; (11)Enthalpy of Vaporization: 56.04 kJ/mol; (12)Boiling Point: 340 °C at 760 mmHg; (13)Vapour Pressure: 0.000174 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1nc2c(c(n1)Cl)CSC2
(2)InChI: InChI=1/C6H5ClN2S/c7-6-4-1-10-2-5(4)8-3-9-6/h3H,1-2H2
(3)InChIKey: WYEUXQBLKOGGPZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H5ClN2S/c7-6-4-1-10-2-5(4)8-3-9-6/h3H,1-2H2
(5)Std. InChIKey: WYEUXQBLKOGGPZ-UHFFFAOYSA-N