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

• ChemBase ID: 233446
• Molecular Formular: C10H11ClN2S
• Molecular Mass: 226.72574
• Monoisotopic Mass: 226.03314704
• SMILES: C1(=NCCCS1)Nc1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1NC1=NCCCS1
• InChI: InChI=1S/C10H11ClN2S/c11-8-4-1-2-5-9(8)13-10-12-6-3-7-14-10/h1-2,4-5H,3,6-7H2,(H,12,13)
• InChIKey: KZRWKTXNDSCUHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• IUPAC Traditional name: N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
• Synonyms: N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

Database IDs

• CAS Number: 27779-16-4
• MDL Number: MFCD03961598
• PubChem SID: 164289356
• PubChem CID: 2378238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.853364
• LogD (pH = 7.4): 3.202979
• Log P: 3.2099159
• Molar Refractivity: 63.5445 cm^3
• Polarizability: 23.78478 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.595

Product Information

• Purity: 95%