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6-{[2-(3-methylphenoxy)ethyl]sulfanyl}-9H-purine

6-{[2-(3-methylphenoxy)ethyl]sulfanyl}-9H-purine

Formula: C14H14N4OS

SMILES: CC1=CC=CC(OCCSC2=C3N=CNC3=NC=N2)=C1

IUPAC: 6-{[2-(3-methylphenoxy)ethyl]sulfanyl}-9H-purine

InChI: InChI=1S/C14H14N4OS/c1-10-3-2-4-11(7-10)19-5-6-20-14-12-13(16-8-15-12)17-9-18-14/h2-4,7-9H,5-6H2,1H3,(H,15,16,17,18)

Composition: C (58.72%), H (4.93%), N (19.57%), O (5.59%), S (11.20%)

Molar Mass: 286.35

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 286.088832261
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KRTJHJMDQXMCJY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.45
Topological Polar Surface Area 63.69
Polarizability 30.99
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H14N4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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