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3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-(4-methoxyphenyl)-1H-1,2,4-triazole

3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-(4-methoxyphenyl)-1H-1,2,4-triazole

Formula: C17H16ClN3O2S

SMILES: COC1=CC=C(C=C1)C1=NC(SCCOC2=CC=C(Cl)C=C2)=NN1

IUPAC: 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-(4-methoxyphenyl)-1H-1,2,4-triazole

InChI: InChI=1S/C17H16ClN3O2S/c1-22-14-6-2-12(3-7-14)16-19-17(21-20-16)24-11-10-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20,21)

Composition: C (56.43%), H (4.46%), Cl (9.80%), N (11.61%), O (8.84%), S (8.86%)

Molar Mass: 361.84

Atom Count: 40

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 361.0651756
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KOBDUJMDFWURNM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.75
Topological Polar Surface Area 60.03
Polarizability 37.93
Ring Count 3
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16ClN3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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