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4-[(4-fluorophenyl)sulfanyl]-5-methoxy-2-(pyridin-2-yl)pyrimidine

4-[(4-fluorophenyl)sulfanyl]-5-methoxy-2-(pyridin-2-yl)pyrimidine

CAS: 321433-01-6

Formula: C16H12FN3OS

SMILES: COC1=CN=C(N=C1SC1=CC=C(F)C=C1)C1=NC=CC=C1

IUPAC: 4-[(4-fluorophenyl)sulfanyl]-5-methoxy-2-(pyridin-2-yl)pyrimidine

InChI: InChI=1S/C16H12FN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3

Composition: C (61.33%), H (3.86%), F (6.06%), N (13.41%), O (5.11%), S (10.23%)

Molar Mass: 313.35

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 313.068511355
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MFUCBYRUQFMVJU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.28
Topological Polar Surface Area 47.9
Polarizability 32.74
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 321433-01-6 $51.35-$86.31$51.35$63.37$86.31
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