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

• ChemBase ID: 229694
• Molecular Formular: C11H14N2S
• Molecular Mass: 206.30726
• Monoisotopic Mass: 206.08776946
• SMILES: C1(=NCCCS1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNC1=NCCCS1
• InChI: InChI=1S/C11H14N2S/c1-2-5-10(6-3-1)9-13-11-12-7-4-8-14-11/h1-3,5-6H,4,7-9H2,(H,12,13)
• InChIKey: KVFOICMSGAUPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 30480-73-0
• MDL Number: MFCD03152618
• PubChem SID: 164285604
• PubChem CID: 2446693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.06787823
• LogD (pH = 7.4): 1.0933452
• Log P: 2.4238758
• Molar Refractivity: 61.7939 cm^3
• Polarizability: 23.762814 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.631

Product Information

• Purity: 95%