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4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Formula: C14H18F3N3S

SMILES: CCN1CCN(CC1)C(=S)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

InChI: InChI=1S/C14H18F3N3S/c1-2-19-6-8-20(9-7-19)13(21)18-12-5-3-4-11(10-12)14(15,16)17/h3-5,10H,2,6-9H2,1H3,(H,18,21)

Composition: C (52.98%), H (5.72%), F (17.96%), N (13.24%), S (10.10%)

Molar Mass: 317.37

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 317.117353255
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey AAJJLMKTUZDHEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.15
Topological Polar Surface Area 18.51
Polarizability 30.7
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H18F3N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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