Thieno[2,3-b]pyrazine-6-carboxylicacid, 7-amino- supplier

Name
7-AMINOTHIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID
EINECS
CAS No. 56881-31-3
Article Data3
CAS DataBase
Density 1.707g/cm³
Solubility
Melting Point 250 °C
Formula C₇H₅N₃O₂S
Boiling Point 464.971 °C at 760 mmHg
Molecular Weight 195.202
Flash Point 235.006 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 7-AMINOTHIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID
PSA 117.34000
LogP 1.55290

Thieno[2,3-b]pyrazine-6-carboxylicacid, 7-amino- Specification

The Thieno[2,3-b]pyrazine-6-carboxylicacid, 7-amino-, with CAS registry number 56881-31-3, has the systematic name of 7-aminothieno[2,3-b]pyrazine-6-carboxylic acid. Its molecular weight is 195.2. And the chemical formula of this chemical is C₇H₅N₃O₂S.

Physical properties of Thieno[2,3-b]pyrazine-6-carboxylicacid, 7-amino-: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 117.34 Å²; (12)Index of Refraction: 1.822; (13)Molar Refractivity: 49.828 cm³; (14)Molar Volume: 114.286 cm³; (15)Polarizability: 19.754×10^-24cm³; (16)Surface Tension: 110.48 dyne/cm; (17)Density: 1.708 g/cm³; (18)Flash Point: 235.006 °C; (19)Enthalpy of Vaporization: 76.543 kJ/mol; (20)Boiling Point: 464.971 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2sc1nccnc1c2N
(2)InChI: InChI=1/C7H5N3O2S/c8-3-4-6(10-2-1-9-4)13-5(3)7(11)12/h1-2H,8H2,(H,11,12)
(3)InChIKey: UJUCBOIXAMPUQL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H5N3O2S/c8-3-4-6(10-2-1-9-4)13-5(3)7(11)12/h1-2H,8H2,(H,11,12)
(5)Std. InChIKey: UJUCBOIXAMPUQL-UHFFFAOYSA-N

Product Name

7-AMINOTHIENO[2,3-B]PYRAZINE-6-CARBOXYLIC ACID

Thieno[2,3-b]pyrazine-6-carboxylicacid, 7-amino- Specification

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