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8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

CAS: 1246738-29-3

Formula: C13H13ClF3N3OS

SMILES: FC(F)(F)C1=CC(Cl)=C(N=C1)N1CCC2(CC1)NC(=O)CS2

IUPAC: 8-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-thia-4,8-diazaspiro[4.5]decan-3-one

InChI: InChI=1S/C13H13ClF3N3OS/c14-9-5-8(13(15,16)17)6-18-11(9)20-3-1-12(2-4-20)19-10(21)7-22-12/h5-6H,1-4,7H2,(H,19,21)

Composition: C (44.39%), H (3.73%), Cl (10.08%), F (16.20%), N (11.95%), O (4.55%), S (9.11%)

Molar Mass: 351.77

Atom Count: 35

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 351.0419954
Formal Charge 0
FSP3 0.54
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IAMTVNIHOIPSIE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.25
Topological Polar Surface Area 45.23
Polarizability 29.5
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1246738-29-3 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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