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3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-(2-{[(2-chloro-6-fluorophenyl)methoxy]imino}ethyl)-1,2-thiazole-4-carbonitrile

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-(2-{[(2-chloro-6-fluorophenyl)methoxy]imino}ethyl)-1,2-thiazole-4-carbonitrile

CAS: 338413-09-5

Formula: C19H10Cl2F4N4OS2

SMILES: FC1=CC=CC(Cl)=C1CON=CCC1=C(C#N)C(SC2=C(Cl)C=C(C=N2)C(F)(F)F)=NS1

IUPAC: 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5-(2-{[(2-chloro-6-fluorophenyl)methoxy]imino}ethyl)-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C19H10Cl2F4N4OS2/c20-13-2-1-3-15(22)12(13)9-30-28-5-4-16-11(7-26)17(29-32-16)31-18-14(21)6-10(8-27-18)19(23,24)25/h1-3,5-6,8H,4,9H2

Composition: C (43.77%), H (1.93%), Cl (13.60%), F (14.58%), N (10.75%), O (3.07%), S (12.30%)

Molar Mass: 521.33

Atom Count: 42

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 519.9609214
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey GJAQSWVFYUZJGE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 117.76
Topological Polar Surface Area 71.16
Polarizability 43.17
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338413-09-5 $51.35-$86.31$51.35$63.37$86.31
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