thiophen-3-amine

• ChemBase ID: 799527
• Molecular Formular: C4H5NS
• Molecular Mass: 99.1542
• Monoisotopic Mass: 99.01427017
• SMILES: s1cc(cc1)N
• Canonical SMILES: Nc1cscc1
• InChI: InChI=1S/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2
• InChIKey: DKGYESBFCGKOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiophen-3-amine
• IUPAC Traditional name: thiophen-3-amine
• Synonyms: thiophen-3-amine

Database IDs

• CAS Number: 17721-06-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.92476165
• LogD (pH = 7.4): 0.92476183
• Log P: 0.92476183
• Molar Refractivity: 27.8642 cm^3
• Polarizability: 10.101012 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%