1,3-thiazinane

• ChemBase ID: 235860
• Molecular Formular: C4H9NS
• Molecular Mass: 103.18596
• Monoisotopic Mass: 103.04557029
• SMILES: N1CSCCC1
• Canonical SMILES: C1CCSCN1
• InChI: InChI=1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2
• InChIKey: HOQOADCYROWGQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-thiazinane
• IUPAC Traditional name: 1,3-thiazinane
• Synonyms: 1,3-thiazinane

Database IDs

• MDL Number: MFCD01681719
• PubChem SID: 164291770
• PubChem CID: 120280

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1571496
• LogD (pH = 7.4): -0.42359042
• Log P: 0.28919005
• Molar Refractivity: 29.7056 cm^3
• Polarizability: 11.963619 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.376

Product Information

• Purity: 95%