N-(2-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

• ChemBase ID: 229657
• Molecular Formular: C11H14N2S
• Molecular Mass: 206.30726
• Monoisotopic Mass: 206.08776946
• SMILES: C1(=NCCCS1)Nc1c(C)cccc1
• Canonical SMILES: Cc1ccccc1NC1=NCCCS1
• InChI: InChI=1S/C11H14N2S/c1-9-5-2-3-6-10(9)13-11-12-7-4-8-14-11/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)
• InChIKey: BUNDSUYBSCAHHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 27779-14-2
• MDL Number: MFCD03150329
• PubChem SID: 164285567
• PubChem CID: 2384869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.84701
• LogD (pH = 7.4): 3.0261478
• Log P: 3.1192927
• Molar Refractivity: 63.7809 cm^3
• Polarizability: 23.68789 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.561

Product Information

• Purity: 95%