4-(thiophen-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine

• ChemBase ID: 31267
• Molecular Formular: C11H11NS2
• Molecular Mass: 221.34174
• Monoisotopic Mass: 221.03329136
• SMILES: c12C(c3sccc3)NCCc1scc2
• Canonical SMILES: c1csc(c1)C1NCCc2c1ccs2
• InChI: InChI=1S/C11H11NS2/c1-2-10(13-6-1)11-8-4-7-14-9(8)3-5-12-11/h1-2,4,6-7,11-12H,3,5H2
• InChIKey: FNAIZDXMURLVGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(thiophen-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
• IUPAC Traditional name: 4-(thiophen-2-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
• Synonyms: 4-thien-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine; 4-Thiophen-2-yl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

Database IDs

• MDL Number: MFCD07345665
• PubChem SID: 160994574
• PubChem CID: 6485299

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.70155257
• LogD (pH = 7.4): 2.4359128
• Log P: 3.1814861
• Molar Refractivity: 60.7886 cm^3
• Polarizability: 23.458029 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.445

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%