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59944-79-5

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Basic Information
CAS No.: 59944-79-5
Name: THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 59944-79-5 (THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID)
Formula: C7H4N2O2S
Molecular Weight: 180.187
Synonyms: THIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID;Thieno[2,3-b]pyrazine-6-carboxylic acid 90%;2-b]pyrazine-6-carboxylic acid
Density: 1.608g/cm3
Melting Point: 220°C
Boiling Point: 407.8 °C at 760 mmHg
Flash Point: 200.5 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 22-26-36/37/39
PSA: 91.32000
LogP: 1.38950
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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