3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene supplier

Name
5,6-dichloro-2-(methylsulfanyl)-1H-imidazo[4,5-b]pyrazine
EINECS
CAS No. 79100-24-6
Density 1.74 g/cm³
Solubility
Melting Point
Formula C₆H₄Cl₂N₄S
Boiling Point 389.1 °C at 760 mmHg
Molecular Weight 235.097
Flash Point 189.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,6-Dichloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyrazine;
PSA
LogP

3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene Specification

The CAS registry number of 3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene is 79100-24-6. This chemical's molecular formula is C₆H₄Cl₂N₄S and molecular weight is 235.0938. What's more, both its IUPAC name and systematic name are the same which is called 5,6-Dichloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyrazine.

Physical properties about 3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 68.9 Å²; (7)Index of Refraction: 1.729; (8)Molar Refractivity: 53.92 cm³; (9)Molar Volume: 135.1 cm³; (10)Surface Tension: 96.3 dyne/cm; (11)Density: 1.74 g/cm³; (12)Flash Point: 189.1 °C; (13)Enthalpy of Vaporization: 63.84 kJ/mol; (14)Boiling Point: 389.1 °C at 760 mmHg; (15)Vapour Pressure: 2.92E-06 mmHg at 25 °C.

Preparation of 3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene: this chemical can be prepared by Iodomethane with 5,6-Dichloro-1H-imidazo[4,5-b]pyrazine-2-thiol. This reaction needs reagent NaOH and solvent Methanol at ambient temperature. The reaction time is 0.5 hours. The yield is 38 %.

3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene can be prepared by Iodomethane with 5,6-Dichloro-1H-imidazo[4,5-b]pyrazine-2-thiol.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nc2nc(SC)nc2nc1Cl
(2) InChI: InChI=1/C6H4Cl2N4S/c1-13-6-11-4-5(12-6)10-3(8)2(7)9-4/h1H3,(H,9,10,11,12)
(3) InChIKey: ANAOAGLEJXEOHI-UHFFFAOYAS

Product Name

5,6-dichloro-2-(methylsulfanyl)-1H-imidazo[4,5-b]pyrazine

3,4-Dichloro-8-methylsulfanyl-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraene Specification

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