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1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Formula: C14H12F3N3S

SMILES: FC(F)(F)C1=CC(NC(=S)NCC2=CC=CN=C2)=CC=C1

IUPAC: 1-[(pyridin-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C14H12F3N3S/c15-14(16,17)11-4-1-5-12(7-11)20-13(21)19-9-10-3-2-6-18-8-10/h1-8H,9H2,(H2,19,20,21)

Composition: C (54.01%), H (3.89%), F (18.31%), N (13.50%), S (10.30%)

Molar Mass: 311.33

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 311.070403061
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey ITTFQXBSPARXEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.91
Topological Polar Surface Area 36.95
Polarizability 29.4
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H12F3N3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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