(3S)-3-(thiophen-3-yl)morpholine

• ChemBase ID: 797306
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: [C@@H]1(COCCN1)c1cscc1
• Canonical SMILES: C1CN[C@H](CO1)c1cscc1
• InChI: InChI=1S/C8H11NOS/c1-4-11-6-7(1)8-5-10-3-2-9-8/h1,4,6,8-9H,2-3,5H2/t8-/m1/s1
• InChIKey: WEKPXSKFUJQROB-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(thiophen-3-yl)morpholine
• IUPAC Traditional name: (3S)-3-(thiophen-3-yl)morpholine
• Synonyms: (S)-3-(Thiophen-3-yl)Morpholine

Database IDs

• CAS Number: 1213168-12-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.85065806
• LogD (pH = 7.4): 0.7853411
• Log P: 1.1533033
• Molar Refractivity: 45.1565 cm^3
• Polarizability: 17.834728 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%