(3S)-3-(thiophen-2-yl)morpholine

• ChemBase ID: 795851
• Molecular Formular: C8H11NOS
• Molecular Mass: 169.24404
• Monoisotopic Mass: 169.05613498
• SMILES: [C@H]1(COCCN1)c1sccc1
• Canonical SMILES: C1CN[C@@H](CO1)c1cccs1
• InChI: InChI=1S/C8H11NOS/c1-2-8(11-5-1)7-6-10-4-3-9-7/h1-2,5,7,9H,3-4,6H2/t7-/m0/s1
• InChIKey: DTCRMVMDRUMUHQ-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(thiophen-2-yl)morpholine
• IUPAC Traditional name: (3S)-3-(thiophen-2-yl)morpholine
• Synonyms: (S)-3-(Thiophen-2-yl)Morpholine

Database IDs

• CAS Number: 1213662-44-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.61728156
• LogD (pH = 7.4): 0.9759155
• Log P: 1.2857426
• Molar Refractivity: 44.9406 cm^3
• Polarizability: 17.837772 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%