2-(propan-2-yl)thiomorpholine

• ChemBase ID: 284730
• Molecular Formular: C7H15NS
• Molecular Mass: 145.2657
• Monoisotopic Mass: 145.09252049
• SMILES: S1C(C(C)C)CNCC1
• Canonical SMILES: CC(C1SCCNC1)C
• InChI: InChI=1S/C7H15NS/c1-6(2)7-5-8-3-4-9-7/h6-8H,3-5H2,1-2H3
• InChIKey: PZXQCEVMESPTFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)thiomorpholine
• IUPAC Traditional name: 2-isopropylthiomorpholine
• Synonyms: 2-(propan-2-yl)thiomorpholine

Database IDs

• MDL Number: MFCD20731134
• PubChem SID: 180670261
• PubChem CID: 56807259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.727483
• LogD (pH = 7.4): -0.63820255
• Log P: 1.4465263
• Molar Refractivity: 43.4401 cm^3
• Polarizability: 17.496119 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.833

Product Information

• Purity: 95%