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

Name
7-chlorothiazolo[5,4-d]pyrimidine
EINECS
CAS No. 13316-12-6
Article Data7
CAS DataBase
Density 1.639 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiazolo[5,4-d]pyrimidine, 7-chloro-;
PSA 66.91000
LogP 1.73970

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

Product Name

7-chlorothiazolo[5,4-d]pyrimidine

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

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