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N'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-(pyridin-2-ylsulfanyl)ethanimidamide

N'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-(pyridin-2-ylsulfanyl)ethanimidamide

CAS: 338418-74-9

Formula: C13H11ClF3N5S

SMILES: NC(CSC1=NC=CC=C1)=NNC1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: N'-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-(pyridin-2-ylsulfanyl)ethanimidamide

InChI: InChI=1S/C13H11ClF3N5S/c14-9-5-8(13(15,16)17)6-20-12(9)22-21-10(18)7-23-11-3-1-2-4-19-11/h1-6H,7H2,(H2,18,21)(H,20,22)

Composition: C (43.16%), H (3.06%), Cl (9.80%), F (15.75%), N (19.36%), S (8.86%)

Molar Mass: 361.77

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 361.0375787
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SBJHWWNMKYSGPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.82
Topological Polar Surface Area 76.19
Polarizability 31
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338418-74-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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