2-(phenylsulfanyl)thiophene

• ChemBase ID: 82664
• Molecular Formular: C10H8S2
• Molecular Mass: 192.30052
• Monoisotopic Mass: 192.00674226
• SMILES: s1c(ccc1)Sc1ccccc1
• Canonical SMILES: c1ccc(cc1)Sc1cccs1
• InChI: InChI=1S/C10H8S2/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8H
• InChIKey: JQTBWKNYWACCRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(phenylsulfanyl)thiophene
• IUPAC Traditional name: 2-(phenylsulfanyl)thiophene
• Synonyms: 2-(Phenylthio)thiophene; 2-(Phenylmercapto)thiophene; Phenyl 2-thienyl sulfide; 2-(Phenylthio)thiophene; 2-(苯硫基)噻吩

Database IDs

• CAS Number: 16718-12-0
• MDL Number: MFCD00052141
• PubChem SID: 162069783
• PubChem CID: 2778915

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1084332
• LogD (pH = 7.4): 4.1084332
• Log P: 4.1084332
• Molar Refractivity: 55.0078 cm^3
• Polarizability: 21.63034 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109-110°C/0.4mm; 109-110°C/0.4mm

Safety Information

• Safety Statements: 24/25
• TSCA Listed: 否

Product Information

• Purity: 97+%