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Thieno[2,3-b]pyrazine-6-carboxylicacid

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Name

Thieno[2,3-b]pyrazine-6-carboxylicacid

EINECS N/A
CAS No. 59944-79-5 Density 1.608g/cm3
PSA 91.32000 LogP 1.38950
Solubility N/A Melting Point 220°C
Formula C7H4N2O2S Boiling Point 407.8 °C at 760 mmHg
Molecular Weight 180.187 Flash Point 200.5 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 59944-79-5 (THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID) Hazard Symbols HarmfulXn
Synonyms

THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID;Thieno[2,3-b]pyrazine-6-carboxylic acid 90%;2-b]pyrazine-6-carboxylic acid

 

Thieno[2,3-b]pyrazine-6-carboxylicacid Specification

The Thieno[2,3-b]pyrazine-6-carboxylicacid, with CAS registry number 59944-79-5, has the systematic name of thieno[2,3-b]pyrazine-6-carboxylic acid. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C7H4N2O2S.

Physical properties of Thieno[2,3-b]pyrazine-6-carboxylicacid: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 80.32 Å2; (11)Index of Refraction: 1.749; (12)Molar Refractivity: 45.59 cm3; (13)Molar Volume: 112 cm3; (14)Polarizability: 18.07×10-24cm3; (15)Surface Tension: 89.6 dyne/cm; (16)Density: 1.608 g/cm3; (17)Flash Point: 200.5 °C; (18)Enthalpy of Vaporization: 69.57 kJ/mol; (19)Boiling Point: 407.8 °C at 760 mmHg; (20)Vapour Pressure: 2.2E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Thieno[2,3-b]pyrazine-6-carboxylicacid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2sc1nccnc1c2
(2)InChI: InChI=1/C7H4N2O2S/c10-7(11)5-3-4-6(12-5)9-2-1-8-4/h1-3H,(H,10,11)
(3)InChIKey: MEHCDDSVVYRWJT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H4N2O2S/c10-7(11)5-3-4-6(12-5)9-2-1-8-4/h1-3H,(H,10,11)
(5)Std. InChIKey: MEHCDDSVVYRWJT-UHFFFAOYSA-N

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