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ethyl 4-[(phenylcarbamothioyl)amino]benzoate

ethyl 4-[(phenylcarbamothioyl)amino]benzoate

Formula: C16H16N2O2S

SMILES: CCOC(=O)C1=CC=C(NC(=S)NC2=CC=CC=C2)C=C1

IUPAC: ethyl 4-[(phenylcarbamothioyl)amino]benzoate

InChI: InChI=1S/C16H16N2O2S/c1-2-20-15(19)12-8-10-14(11-9-12)18-16(21)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,21)

Composition: C (63.98%), H (5.37%), N (9.33%), O (10.65%), S (10.67%)

Molar Mass: 300.38

Atom Count: 37

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.093248937
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey FUBMAKIAKSVODK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.82
Topological Polar Surface Area 50.36
Polarizability 33.73
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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