Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Chlorothiazolo[5,4-d]pyrimidine |
EINECS | N/A |
CAS No. | 13316-12-6 | Density | 1.639 g/cm3 |
PSA | 66.91000 | LogP | 1.73970 |
Solubility | N/A | Melting Point |
152-15 °C |
Formula | C5H2ClN3S | Boiling Point | 295.1 °C at 760 mmHg |
Molecular Weight | 171.61 | Flash Point | 132.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Thiazolo[5,4-d]pyrimidine, 7-chloro-; |
Article Data | 7 |
The 5-Chloro-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene, with the CAS registry number of 13316-12-6, is also known as Thiazolo[5,4-d]pyrimidine, 7-chloro-. Its molecular formula is C5H2ClN3S and molecular weight is 171.607480. What's more, its IUPAC name is 7-Chloro-[1,3]thiazolo[5,4-d]pyrimidine.
Physical properties about the 5-Chloro-9-thia-2,4,7-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 66.91 Å2; (7)Index of Refraction: 1.727; (8)Molar Refractivity: 41.64 cm3; (9)Molar Volume: 104.6 cm3; (10)Surface Tension: 79.5 dyne/cm; (11)Density: 1.639 g/cm3; (12)Flash Point: 132.3 °C; (13)Enthalpy of Vaporization: 51.34 kJ/mol; (14)Boiling Point: 295.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00274 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1scnc12
(2) InChI: InChI=1/C5H2ClN3S/c6-4-3-5(8-1-7-4)10-2-9-3/h1-2H
(3) InChIKey: HGYFXAHDBRHZGF-UHFFFAOYAZ