2-Phenylbenzothiazole

• Catalog Number: ACM883932-1
• Product Name: 2-Phenylbenzothiazole
• CAS: 883-93-2
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Phenyl-1,3-benzothiazole
• IUPAC Name: 2-phenyl-1,3-benzothiazole
• Molecular Weight: 211.28
• Molecular Formula: C13H9NS
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
• InChI: XBHOUXSGHYZCNH-UHFFFAOYSA-N
• InChI Key: InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
• Boiling Point: 371 °C
• Melting Point: 111-113 °C -lit.
• Appearance: Grey needle-like crystals
• Storage: Store below +30°C.
• Complexity: 213
• Covalently-Bonded Unit Count: 1
• EC Number: 212-935-3
• Exact Mass: 211.04557046
• H-Bond Acceptor: 2
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 211.04557046
• NSC Number: 2034
• Octanol Water Partition Coefficient: 4.26 (LogP)
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 41.1 Ų
• UNII: FO573G4BGT