thieno[2,3-b]pyrazine

• ChemBase ID: 68271
• Molecular Formular: C6H4N2S
• Molecular Mass: 136.17436
• Monoisotopic Mass: 136.00951914
• SMILES: c12c(nccn1)ccs2
• Canonical SMILES: c1cnc2c(n1)scc2
• InChI: InChI=1S/C6H4N2S/c1-4-9-6-5(1)7-2-3-8-6/h1-4H
• InChIKey: YJSKZIATOGOJEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]pyrazine
• IUPAC Traditional name: thieno[2,3-b]pyrazine
• Synonyms: Thieno[2,3-b]pyrazine

Database IDs

• CAS Number: 56088-28-9
• MDL Number: MFCD11110438
• PubChem SID: 162034003
• PubChem CID: 12299126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1672341
• LogD (pH = 7.4): 1.1672381
• Log P: 1.1672381
• Molar Refractivity: 34.6649 cm^3
• Polarizability: 14.051073 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+%