7-bromothieno[2,3-b]pyrazine

• ChemBase ID: 68272
• Molecular Formular: C6H3BrN2S
• Molecular Mass: 215.07042
• Monoisotopic Mass: 213.92003111
• SMILES: c12c(nccn1)c(cs2)Br
• Canonical SMILES: Brc1csc2c1nccn2
• InChI: InChI=1S/C6H3BrN2S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H
• InChIKey: LKUNJISTXIJLSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromothieno[2,3-b]pyrazine
• IUPAC Traditional name: 7-bromothieno[2,3-b]pyrazine
• Synonyms: 7-Bromothieno[2,3-b]pyrazine

Database IDs

• CAS Number: 1126824-72-3
• MDL Number: MFCD13193345
• PubChem SID: 162034004
• PubChem CID: 56763841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9359905
• LogD (pH = 7.4): 1.9359908
• Log P: 1.9359908
• Molar Refractivity: 42.2877 cm^3
• Polarizability: 16.975924 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%