[5-(pyridin-4-yl)thiophen-2-yl]methanamine

• ChemBase ID: 101488
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(sc(cc1)CN)c1ccncc1
• Canonical SMILES: NCc1ccc(s1)c1ccncc1
• InChI: InChI=1S/C10H10N2S/c11-7-9-1-2-10(13-9)8-3-5-12-6-4-8/h1-6H,7,11H2
• InChIKey: STUXHGHINJTCIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-4-yl)thiophen-2-yl]methanamine
• IUPAC Traditional name: [5-(pyridin-4-yl)thiophen-2-yl]methanamine
• Synonyms: (5-pyrid-4-ylthien-2-yl)methylamine

Database IDs

• CAS Number: 937795-98-7
• MDL Number: MFCD10700058
• PubChem SID: 162087132
• PubChem CID: 42556079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4534091
• LogD (pH = 7.4): -0.03647816
• Log P: 1.4381547
• Molar Refractivity: 54.1847 cm^3
• Polarizability: 22.432997 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%