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3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

Formula: C14H14FN5O2S2

SMILES: NC(=N)NS(=O)(=O)C1=CC=C(NC(=S)NC2=CC=C(F)C=C2)C=C1

IUPAC: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(4-fluorophenyl)thiourea

InChI: InChI=1S/C14H14FN5O2S2/c15-9-1-3-10(4-2-9)18-14(23)19-11-5-7-12(8-6-11)24(21,22)20-13(16)17/h1-8H,(H4,16,17,20)(H2,18,19,23)

Composition: C (45.77%), H (3.84%), F (5.17%), N (19.06%), O (8.71%), S (17.45%)

Molar Mass: 367.42

Atom Count: 38

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 367.057295222
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 5
InChIKey CUCLXMXIBGJMCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.25
Topological Polar Surface Area 120.1
Polarizability 36.15
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H14FN5O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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