bromo(1λ4-thiolan-1-yl)gold

• ChemBase ID: 126247
• Molecular Formular: C4H8AuBrS
• Molecular Mass: 365.04187
• Monoisotopic Mass: 363.91957626
• SMILES: Br[Au][S]1CCCC1
• Canonical SMILES: Br[Au][S]1CCCC1
• InChI: InChI=1S/C4H8S.Au.BrH/c1-2-4-5-3-1;;/h1-4H2;;1H/q;+1;/p-1
• InChIKey: DVTPJQDAZYEPPF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(1λ^4-thiolan-1-yl)gold
• IUPAC Traditional name: bromo(1λ^4-thiolan-1-yl)gold
• Synonyms: Bromo(tetrahydrothiophene)gold(I)

Database IDs

• CAS Number: 39929-22-1
• Wikipedia Title: Bromo(tetrahydrothiophene)gold(I)

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1017
• LogD (pH = 7.4): 1.1017
• Log P: 1.1017
• Molar Refractivity: 35.5031 cm^3
• Polarizability: 21.125526 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true