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ethyl 2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetate

ethyl 2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetate

CAS: 828276-28-4

Formula: C14H13FN2O2S

SMILES: CCOC(=O)CSC1=NC=CC(=N1)C1=CC=C(F)C=C1

IUPAC: ethyl 2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}acetate

InChI: InChI=1S/C14H13FN2O2S/c1-2-19-13(18)9-20-14-16-8-7-12(17-14)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3

Composition: C (57.52%), H (4.48%), F (6.50%), N (9.58%), O (10.95%), S (10.97%)

Molar Mass: 292.33

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 292.068177004
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RATYOGJEGNHGRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.16
Topological Polar Surface Area 52.08
Polarizability 30.35
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 828276-28-4 $187.20$187.20
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