thieno[2,3-b]pyrazin-7-amine

• ChemBase ID: 92555
• Molecular Formular: C6H5N3S
• Molecular Mass: 151.189
• Monoisotopic Mass: 151.02041818
• SMILES: s1c2c(nccn2)c(c1)N
• Canonical SMILES: Nc1csc2c1nccn2
• InChI: InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2
• InChIKey: ZRVKSPNBHZCQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyrazin-7-amine
• IUPAC Traditional name: thieno[2,3-b]pyrazin-7-amine
• Synonyms: thieno[2,3-b]pyrazin-7-amine; Thieno[2,3-b]pyrazin-7-amine; 7-Aminothieno[2,3-b]pyrazine 95%

Database IDs

• CAS Number: 59944-75-1
• MDL Number: MFCD08271970
• PubChem SID: 162079253
• PubChem CID: 12299130

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.33831203
• LogD (pH = 7.4): 0.33831218
• Log P: 0.33831218
• Molar Refractivity: 39.3653 cm^3
• Polarizability: 15.182192 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87.5-89.5°C

Safety Information

• Storage Warning: Toxic/Harmful

Product Information

• Purity: 95%