5,7-Dichlorothiazolo[5,4-d]pyrimidine supplier

Name
5,7-dichlorothiazolo[5,4-d]pyrimidine
EINECS
CAS No. 13479-88-4
Article Data6
CAS DataBase
Density 1.767 g/cm³
Solubility
Melting Point 148.5-149.5 °C
Formula C₅HCl₂N₃S
Boiling Point 281.2 °C at 760 mmHg
Molecular Weight 206.055
Flash Point 123.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 66.91000
LogP 2.39310

5,7-Dichlorothiazolo[5,4-d]pyrimidine Specification

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

Product Name

5,7-dichlorothiazolo[5,4-d]pyrimidine

5,7-Dichlorothiazolo[5,4-d]pyrimidine Specification

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