thiobenzophenone

• ChemBase ID: 129860
• Molecular Formular: C13H10S
• Molecular Mass: 198.2835
• Monoisotopic Mass: 198.05032132
• SMILES: S=C(c1ccccc1)c1ccccc1
• Canonical SMILES: S=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H10S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: XDDVRYDDMGRFAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thiobenzophenone
• IUPAC Traditional name: thiobenzophenone
• Synonyms: Thiobenzophenone

Database IDs

• CAS Number: 1450-31-3
• PubChem SID: 162224146
• PubChem CID: 578536
• Wikipedia Title: Thiobenzophenone

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.3224683
• LogD (pH = 7.4): 4.3224683
• Log P: 4.3224683
• Molar Refractivity: 64.6244 cm^3
• Polarizability: 25.330711 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Deep blue solid
• Melting Point: 53-54 °C
• Boiling Point: 174 °C
• Flash Point: no