6-oxa-2-thiaspiro[4.5]decan-9-amine

• ChemBase ID: 240719
• Molecular Formular: C8H15NOS
• Molecular Mass: 173.2758
• Monoisotopic Mass: 173.08743511
• SMILES: C12(OCCC(C1)N)CCSC2
• Canonical SMILES: NC1CCOC2(C1)CSCC2
• InChI: InChI=1S/C8H15NOS/c9-7-1-3-10-8(5-7)2-4-11-6-8/h7H,1-6,9H2
• InChIKey: ICDSYTUJXHDOSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxa-2-thiaspiro[4.5]decan-9-amine
• IUPAC Traditional name: 6-oxa-2-thiaspiro[4.5]decan-9-amine
• Synonyms: 6-oxa-2-thiaspiro[4.5]decan-9-amine

Database IDs

• MDL Number: MFCD22392203
• PubChem SID: 164296629
• PubChem CID: 71756615

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1294847
• LogD (pH = 7.4): -2.7652261
• Log P: -0.10371102
• Molar Refractivity: 48.0256 cm^3
• Polarizability: 19.287197 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.549

Product Information

• Purity: 95%