Products Categories
CAS No.: | 13479-88-4 |
---|---|
Name: | 5,7-dichlorothiazolo[5,4-d]pyrimidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5HCl2N3S |
Molecular Weight: | 206.055 |
Synonyms: | 5,7-Dichloro[1,3]thiazolo[5,4-d]pyrimidine;Thiazolo[5,4-d]pyrimidine, 5,7-dichloro-;5,7-dichloro[1,3]thiazolo[5,4-d]pyrimidine; |
Density: | 1.767 g/cm3 |
Melting Point: | 148.5-149.5 °C |
Boiling Point: | 281.2 °C at 760 mmHg |
Flash Point: | 123.9 °C |
PSA: | 66.91000 |
LogP: | 2.39310 |
What can I do for you?
Get Best Price
The 5,7-Dichlorothiazolo[5,4-d]pyrimidine, with the cas registry number 13479-88-4, is also called 5,7-dichloro[1,3]thiazolo[5,4-d]pyrimidine. And the molecular formula of the chemical is C5HCl2N3S.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.79; (6)ACD/BCF (pH 7.4): 5.79; (7)ACD/KOC (pH 5.5): 122.3; (8)ACD/KOC (pH 7.4): 122.3; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 66.91 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 46.54 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 18.45×10-24cm3; (17)Surface Tension: 79.7 dyne/cm; (18)Density: 1.767 g/cm3; (19)Flash Point: 123.9 °C; (20)Enthalpy of Vaporization: 49.91 kJ/mol; (21)Boiling Point: 281.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00615 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2nc1scnc1c(Cl)n2
(2)InChI: InChI=1/C5HCl2N3S/c6-3-2-4(11-1-8-2)10-5(7)9-3/h1H
(3)InChIKey: XYBGDWLYHQAUQM-UHFFFAOYAS