thiophen-2-amine

• ChemBase ID: 294340
• Molecular Formular: C4H5NS
• Molecular Mass: 99.1542
• Monoisotopic Mass: 99.01427017
• SMILES: Nc1cccs1
• Canonical SMILES: Nc1cccs1
• InChI: InChI=1S/C4H5NS/c5-4-2-1-3-6-4/h1-3H,5H2
• InChIKey: GLQWRXYOTXRDNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-2-amine
• IUPAC Traditional name: thiophen-2-amine
• Synonyms: Thiophen-2-amine; 2-AMINOTHIOPHENE

Database IDs

• CAS Number: 616-46-6; 27757-85-3
• PubChem SID: 180679871
• PubChem CID: 97373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0907577
• LogD (pH = 7.4): 1.0907577
• Log P: 1.0907577
• Molar Refractivity: 27.0241 cm^3
• Polarizability: 10.116028 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%