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N-[3-(methylsulfanyl)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

N-[3-(methylsulfanyl)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

Formula: C16H16N2O3S2

SMILES: CSC1=CC=CC(NC(=O)CSCC2=CC=C(C=C2)[N+]([O-])=O)=C1

IUPAC: N-[3-(methylsulfanyl)phenyl]-2-{[(4-nitrophenyl)methyl]sulfanyl}acetamide

InChI: InChI=1S/C16H16N2O3S2/c1-22-15-4-2-3-13(9-15)17-16(19)11-23-10-12-5-7-14(8-6-12)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)

Composition: C (55.15%), H (4.63%), N (8.04%), O (13.78%), S (18.40%)

Molar Mass: 348.44

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 348.060234731
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WTAIKIVQOHRWCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.14
Topological Polar Surface Area 72.24
Polarizability 36.45
Ring Count 2
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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