octahydropyrano[3,4-b]thiomorpholine

• ChemBase ID: 240369
• Molecular Formular: C7H13NOS
• Molecular Mass: 159.24922
• Monoisotopic Mass: 159.07178504
• SMILES: C12SCCNC1CCOC2
• Canonical SMILES: C1OCC2C(C1)NCCS2
• InChI: InChI=1S/C7H13NOS/c1-3-9-5-7-6(1)8-2-4-10-7/h6-8H,1-5H2
• InChIKey: OYZWONKHWLFYPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydropyrano[3,4-b]thiomorpholine
• IUPAC Traditional name: octahydropyrano[3,4-b]thiomorpholine
• Synonyms: octahydropyrano[3,4-b]thiomorpholine

Database IDs

• MDL Number: MFCD20287196
• PubChem SID: 164296279
• PubChem CID: 64281473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.163039
• LogD (pH = 7.4): -1.972392
• Log P: -0.010901245
• Molar Refractivity: 43.3612 cm^3
• Polarizability: 17.448565 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.181

Product Information

• Purity: 95%