(5-phenylthiophen-2-yl)methanamine

• ChemBase ID: 804610
• Molecular Formular: C11H11NS
• Molecular Mass: 189.27674
• Monoisotopic Mass: 189.06122036
• SMILES: C(N)c1sc(cc1)c1ccccc1
• Canonical SMILES: NCc1ccc(s1)c1ccccc1
• InChI: InChI=1S/C11H11NS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
• InChIKey: PKRPFYKLLXGKDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenylthiophen-2-yl)methanamine
• IUPAC Traditional name: (5-phenylthiophen-2-yl)methanamine
• Synonyms: (5-PHENYLTHIOPHEN-2-YL)METHANAMINE

Database IDs

• CAS Number: 58163-25-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.21783501
• LogD (pH = 7.4): 1.1684741
• Log P: 2.655827
• Molar Refractivity: 56.3416 cm^3
• Polarizability: 23.375837 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%