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Thieno[3,4-b]pyrazine

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Name

Thieno[3,4-b]pyrazine

EINECS N/A
CAS No. 272-43-5 Density 1.369 g/cm3
PSA 54.02000 LogP 1.69130
Solubility N/A Melting Point 47-48 °C
Formula C6H4N2S Boiling Point 253.195 °C at 760 mmHg
Molecular Weight 136.177 Flash Point 112.081 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 272-43-5 (Thieno[3,4-b]pyrazine) Hazard Symbols N/A
Synonyms

2',3'-Pyrazinothiophene;Thieno(3,4-b)pyrazine;

Article Data 6

Thieno[3,4-b]pyrazine Specification

The Thieno[3,4-b]pyrazine, with the CAS registry number 272-43-5, is also known as 2',3'-Pyrazinothiophene. This chemical's molecular formula is C6H4N2S and formula weight is 136.17. What's more, both its IUPAC name and systematic name are the same which is called Thieno[3,4-b]pyrazine.

Physical properties about this chemical are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 81; (8)ACD/KOC (pH 7.4): 81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 38.662 cm3; (15)Molar Volume: 99.476 cm3; (16)Surface Tension: 65.1 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 112.081 °C; (19)Enthalpy of Vaporization: 47.074 kJ/mol; (20)Boiling Point: 253.195 °C at 760 mmHg; (21)Vapour Pressure: 0.03 mmHg at 25°C; (22)Melting point : 47-48 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1scc2nccnc12
(2)InChI: InChI=1/C6H4N2S/c1-2-8-6-4-9-3-5(6)7-1/h1-4H
(3)InChIKey: CZDVJGBXKADLCY-UHFFFAOYAL

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