N-cyclohexyl-5,6-dihydro-4H-1,3-thiazin-2-amine

• ChemBase ID: 229914
• Molecular Formular: C10H18N2S
• Molecular Mass: 198.32832
• Monoisotopic Mass: 198.11906959
• SMILES: C1(=NCCCS1)NC1CCCCC1
• Canonical SMILES: C1CCC(CC1)NC1=NCCCS1
• InChI: InChI=1S/C10H18N2S/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10/h9H,1-8H2,(H,11,12)
• InChIKey: QOUZDUIPGBMLCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
• IUPAC Traditional name: N-cyclohexyl-5,6-dihydro-4H-1,3-thiazin-2-amine
• Synonyms: Cyclohexyl-(5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine

Database IDs

• CAS Number: 99977-36-3
• MDL Number: MFCD03483909
• PubChem SID: 164285824
• PubChem CID: 2363379

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11184392
• LogD (pH = 7.4): 0.8827944
• Log P: 2.4986734
• Molar Refractivity: 58.1955 cm^3
• Polarizability: 22.639706 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114°C
• Hydrophobicity(logP): 1.643

Product Information

• Purity: 95%