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2-(benzylsulfanyl)-7H-purin-6-amine

2-(benzylsulfanyl)-7H-purin-6-amine

Formula: C12H11N5S

SMILES: NC1=C2NC=NC2=NC(SCC2=CC=CC=C2)=N1

IUPAC: 2-(benzylsulfanyl)-7H-purin-6-amine

InChI: InChI=1S/C12H11N5S/c13-10-9-11(15-7-14-9)17-12(16-10)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

Composition: C (56.01%), H (4.31%), N (27.22%), S (12.46%)

Molar Mass: 257.32

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 257.073516548
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey REPIAJURENEHOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.59
Topological Polar Surface Area 80.48
Polarizability 27.85
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C12H11N5S $102.60$102.60
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