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1-{[1,1'-biphenyl]-4-yl}-2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone

1-{[1,1'-biphenyl]-4-yl}-2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethanone

Formula: C24H18N2O2S3

SMILES: O=C(CSC1=NN=C(SCC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)S1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-2-({5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)ethan-1-one

InChI: InChI=1S/C24H18N2O2S3/c27-21(19-9-5-2-6-10-19)15-29-23-25-26-24(31-23)30-16-22(28)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14H,15-16H2

Composition: C (62.31%), H (3.92%), N (6.06%), O (6.92%), S (20.79%)

Molar Mass: 462.6

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 462.05304135
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XZIHNNRNCMJQTR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.09
Topological Polar Surface Area 59.92
Polarizability 51.01
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18N2O2S3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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