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N-[4-({[(2-chloro-5-iodophenyl)formamido]methanethioyl}amino)phenyl]acetamide

N-[4-({[(2-chloro-5-iodophenyl)formamido]methanethioyl}amino)phenyl]acetamide

Formula: C16H13ClIN3O2S

SMILES: CC(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC(I)=CC=C2Cl)C=C1

IUPAC: N-[4-({[(2-chloro-5-iodophenyl)formamido]methanethioyl}amino)phenyl]acetamide

InChI: InChI=1S/C16H13ClIN3O2S/c1-9(22)19-11-3-5-12(6-4-11)20-16(24)21-15(23)13-8-10(18)2-7-14(13)17/h2-8H,1H3,(H,19,22)(H2,20,21,23,24)

Composition: C (40.57%), H (2.77%), Cl (7.48%), I (26.79%), N (8.87%), O (6.75%), S (6.77%)

Molar Mass: 473.71

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 472.94617
Formal Charge 0
FSP3 0.06
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey DKJQPLHBGXDVBR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.86
Topological Polar Surface Area 70.23
Polarizability 41.08
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13ClIN3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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