Text Search
Structure Search

1-[(E)-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)amino]-3-phenylthiourea

1-[(E)-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)amino]-3-phenylthiourea

Formula: C21H18FN3OS

SMILES: FC1=CC=C(COC2=CC=C(C=NNC(=S)NC3=CC=CC=C3)C=C2)C=C1

IUPAC: 1-[(E)-({4-[(4-fluorophenyl)methoxy]phenyl}methylidene)amino]-3-phenylthiourea

InChI: InChI=1S/C21H18FN3OS/c22-18-10-6-17(7-11-18)15-26-20-12-8-16(9-13-20)14-23-25-21(27)24-19-4-2-1-3-5-19/h1-14H,15H2,(H2,24,25,27)/b23-14+

Composition: C (66.47%), H (4.78%), F (5.01%), N (11.07%), O (4.22%), S (8.45%)

Molar Mass: 379.45

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 379.115461549
Formal Charge 0
FSP3 0.05
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZWEZPCRJJTXFPO-OEAKJJBVSA-N
Lipinski's Rule of Five
Molar Refractivity 111.98
Topological Polar Surface Area 45.65
Polarizability 41.79
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H18FN3OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote