diphenyl-1,3-thiazol-2-amine

• ChemBase ID: 26670
• Molecular Formular: C15H12N2S
• Molecular Mass: 252.33418
• Monoisotopic Mass: 252.07211939
• SMILES: c1(c(sc(n1)N)c1ccccc1)c1ccccc1
• Canonical SMILES: Nc1nc(c(s1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H12N2S/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)
• InChIKey: XDWGEGZDMFHZBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl-1,3-thiazol-2-amine
• IUPAC Traditional name: diphenyl-1,3-thiazol-2-amine
• Synonyms: 4,5-Diphenyl-thiazol-2-ylamine; 4,5-Diphenyl-1,3-thiazol-2-amine; 4,5-Diphenyl-2-thiazolamine; 2-Amino-4,5-diphenylthiazole; 2-氨基-4,5-二苯基噻唑

Database IDs

• CAS Number: 6318-74-7
• MDL Number: MFCD00438803
• PubChem SID: 160989977
• PubChem CID: 73222

CALCULATED PROPERTIES

• Acid pKa: 17.037378
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1535378
• LogD (pH = 7.4): 4.164232
• Log P: 4.1643696
• Molar Refractivity: 75.1246 cm^3
• Polarizability: 31.26076 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Partition Coefficient: 4.413
• Hydrophobicity(logP): 3.825

Safety Information

• Storage Warning: IRRITANT
• RTECS: XJ2450000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%; 95+%; 97%