1,2,3,4,5-pentakis(methylsulfanyl)benzene

• ChemBase ID: 81198
• Molecular Formular: C11H16S5
• Molecular Mass: 308.56974
• Monoisotopic Mass: 307.98555551
• SMILES: S(c1c(c(cc(c1SC)SC)SC)SC)C
• Canonical SMILES: CSc1cc(SC)c(c(c1SC)SC)SC
• InChI: InChI=1S/C11H16S5/c1-12-7-6-8(13-2)10(15-4)11(16-5)9(7)14-3/h6H,1-5H3
• InChIKey: SYAFJBVKTONLAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentakis(methylsulfanyl)benzene
• IUPAC Traditional name: 1,2,3,4,5-pentakis(methylsulfanyl)benzene
• Synonyms: 1,2,3,4,5-penta(methylthio)benzene

Database IDs

• MDL Number: MFCD00051596
• PubChem SID: 162068317
• PubChem CID: 522172

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1143317
• LogD (pH = 7.4): 5.1143317
• Log P: 5.1143317
• Molar Refractivity: 89.8525 cm^3
• Polarizability: 34.782066 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false