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ethyl 4-{[(pyridin-4-ylformohydrazido)methanethioyl]amino}benzoate

ethyl 4-{[(pyridin-4-ylformohydrazido)methanethioyl]amino}benzoate

Formula: C16H16N4O3S

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

IUPAC: ethyl 4-({[(pyridin-4-yl)formohydrazido]methanethioyl}amino)benzoate

InChI: InChI=1S/C16H16N4O3S/c1-2-23-15(22)12-3-5-13(6-4-12)18-16(24)20-19-14(21)11-7-9-17-10-8-11/h3-10H,2H2,1H3,(H,19,21)(H2,18,20,24)

Composition: C (55.80%), H (4.68%), N (16.27%), O (13.94%), S (9.31%)

Molar Mass: 344.39

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 344.094311565
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey HYUQYZFLEVHHEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.74
Topological Polar Surface Area 92.35
Polarizability 35.68
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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