4-(3-azidopropyl)thiomorpholine

• ChemBase ID: 241566
• Molecular Formular: C7H14N4S
• Molecular Mass: 186.27786
• Monoisotopic Mass: 186.09391747
• SMILES: [N+](=[N-])=NCCCN1CCSCC1
• Canonical SMILES: [N-]=[N+]=NCCCN1CCSCC1
• InChI: InChI=1S/C7H14N4S/c8-10-9-2-1-3-11-4-6-12-7-5-11/h1-7H2
• InChIKey: MRNCXMBTNMTAAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-azidopropyl)thiomorpholine
• IUPAC Traditional name: 4-(3-azidopropyl)thiomorpholine
• Synonyms: 4-(3-azidopropyl)thiomorpholine

Database IDs

• MDL Number: MFCD14658196
• PubChem SID: 164297476
• PubChem CID: 61396829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3064735
• LogD (pH = 7.4): -0.5694425
• Log P: 0.7415304
• Molar Refractivity: 52.7984 cm^3
• Polarizability: 19.748371 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.47

Product Information

• Purity: 95%