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

• ChemBase ID: 229581
• Molecular Formular: C12H16N2S
• Molecular Mass: 220.33384
• Monoisotopic Mass: 220.10341952
• SMILES: C1(=NCCCS1)Nc1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)NC1=NCCCS1)C
• InChI: InChI=1S/C12H16N2S/c1-9-4-5-10(2)11(8-9)14-12-13-6-3-7-15-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
• InChIKey: AXBCMDYSVYIPKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02725629
• PubChem SID: 164285491
• PubChem CID: 921158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3276668
• LogD (pH = 7.4): 3.5321457
• Log P: 3.632714
• Molar Refractivity: 68.8221 cm^3
• Polarizability: 25.45348 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%