4-(1,3-thiazol-2-yloxy)aniline

• ChemBase ID: 66626
• Molecular Formular: C9H8N2OS
• Molecular Mass: 192.23762
• Monoisotopic Mass: 192.03573389
• SMILES: Nc1ccc(cc1)Oc1sccn1
• Canonical SMILES: Nc1ccc(cc1)Oc1nccs1
• InChI: InChI=1S/C9H8N2OS/c10-7-1-3-8(4-2-7)12-9-11-5-6-13-9/h1-6H,10H2
• InChIKey: YKEZUUNVYCTDRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,3-thiazol-2-yloxy)aniline
• IUPAC Traditional name: 4-(1,3-thiazol-2-yloxy)aniline
• Synonyms: 4-(Thiazol-2-yloxy)phenylamine

Database IDs

• CAS Number: 105350-49-0
• MDL Number: MFCD09743704
• PubChem SID: 162032363
• PubChem CID: 43363991

CALCULATED PROPERTIES

• Molar Refractivity: 51.6809 cm^3
• Polarizability: 19.596031 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9798795
• LogD (pH = 7.4): 1.9875511
• Log P: 1.9876498

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%