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N-{[1,1'-biphenyl]-4-yl}ethanethioamide

N-{[1,1'-biphenyl]-4-yl}ethanethioamide

Formula: C14H13NS

SMILES: CC(=S)NC1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: N-{[1,1'-biphenyl]-4-yl}ethanethioamide

InChI: InChI=1S/C14H13NS/c1-11(16)15-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)

Composition: C (73.97%), H (5.76%), N (6.16%), S (14.10%)

Molar Mass: 227.33

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 227.076870597
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey CKLABWXWBJULPJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.05
Topological Polar Surface Area 12.03
Polarizability 29.74
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H13NS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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