propyl(thiophen-3-ylmethyl)amine

• ChemBase ID: 312630
• Molecular Formular: C8H13NS
• Molecular Mass: 155.26052
• Monoisotopic Mass: 155.07687042
• SMILES: c1(cscc1)CNCCC
• Canonical SMILES: CCCNCc1cscc1
• InChI: InChI=1S/C8H13NS/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
• InChIKey: MZIXPNLTNGCJTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: propyl(thiophen-3-ylmethyl)amine
• Synonyms: N-(3-thienylmethyl)-1-propanamine

Database IDs

• CAS Number: 741698-78-2
• MDL Number: MFCD07411602

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9880047
• LogD (pH = 7.4): 0.07126788
• Log P: 2.191367
• Molar Refractivity: 45.6844 cm^3
• Polarizability: 17.867168 Å^3
• Polar Surface Area: 12.03 Å^2