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N-[2-(methylsulfanyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(methylsulfanyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Formula: C12H11N5S

SMILES: CSC1=CC=CC=C1NC1=NC=NC2=NNC=C12

IUPAC: N-[2-(methylsulfanyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI: InChI=1S/C12H11N5S/c1-18-10-5-3-2-4-9(10)16-11-8-6-15-17-12(8)14-7-13-11/h2-7H,1H3,(H2,13,14,15,16,17)

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 KALPFJNXSLGRIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.62
Topological Polar Surface Area 66.49
Polarizability 27.82
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H11N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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