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7-Chlorothiazolo[5,4-d]pyrimidine

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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 Molecular Structure of 13316-12-6 (7-chlorothiazolo[5,4-d]pyrimidine) Hazard Symbols N/A
Synonyms

Thiazolo[5,4-d]pyrimidine, 7-chloro-;

Article Data 7

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

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 

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