(prop-2-en-1-yl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 312678
• Molecular Formular: C8H11NS
• Molecular Mass: 153.24464
• Monoisotopic Mass: 153.06122036
• SMILES: c1(cscc1)CNCC=C
• Canonical SMILES: C=CCNCc1cscc1
• InChI: InChI=1S/C8H11NS/c1-2-4-9-6-8-3-5-10-7-8/h2-3,5,7,9H,1,4,6H2
• InChIKey: JWNAGJXSWZTSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: prop-2-en-1-yl(thiophen-3-ylmethyl)amine
• Synonyms: N-(3-thienylmethyl)-2-propen-1-amine

Database IDs

• CAS Number: 892592-88-0
• MDL Number: MFCD07411608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8828979
• LogD (pH = 7.4): 0.71532756
• Log P: 2.0432863
• Molar Refractivity: 45.5745 cm^3
• Polarizability: 17.62895 Å^3
• Polar Surface Area: 12.03 Å^2