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3-ethyl-1-[4-(trifluoromethoxy)phenyl]thiourea

3-ethyl-1-[4-(trifluoromethoxy)phenyl]thiourea

Formula: C10H11F3N2OS

SMILES: CCNC(=S)NC1=CC=C(OC(F)(F)F)C=C1

IUPAC: 3-ethyl-1-[4-(trifluoromethoxy)phenyl]thiourea

InChI: InChI=1S/C10H11F3N2OS/c1-2-14-9(17)15-7-3-5-8(6-4-7)16-10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,17)

Composition: C (45.45%), H (4.20%), F (21.57%), N (10.60%), O (6.05%), S (12.13%)

Molar Mass: 264.27

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 264.054418645
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey YRUQQTOSETWSHS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.3
Topological Polar Surface Area 33.29
Polarizability 23.35
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H11F3N2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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