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U 19963

CAT: 0931-T4177-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T4177-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
404-52-4
Target
Others
Related Pathways
Others
Purity
0.9994
Bioactivity
U 19963 is a potent inhibitor of several enzymes and receptors and has been used to study the effects of drugs on biological systems. It has been found to possess a wide range of biological activities, including anti-inflammatory, anti-tumor and antibacterial properties.
Smiles
N(C(NC1=CC=C(F)C=C1)=S)C2=CC=C(F)C=C2
Molecular Formula
C13H10F2N2S
Molecular Weight
264.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N'-Bis(4-fluorophenyl)thiourea
CAS Number404-52-4
PubChem CID2826649
IUPAC Name1,3-bis(4-fluorophenyl)thiourea
Molecular FormulaC13H10F2N2S
Molecular Weight264.30
XLogP2.4
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity246
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)F)F
InChI
InChI=1S/C13H10F2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
SNQABJUAAUNSEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N'-Bis(4-fluorophenyl)thiourea
CAS: 404-52-4
CID: 2826649
Formula: C13H10F2N2S
MW: 264.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.30
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass264.05327583
Monoisotopic Mass264.05327583
Topological Polar Surface Area56.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes