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Triplin

CAT: 0931-T34956-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T34956-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1421584-86-2
Target
Others
Related Pathways
Others
Purity
0.9962
Bioactivity
Triplin is a chelator of copper ion. Triplin affects the transport of copper ions from ATX1 to RAN1.
Smiles
CC(NC(=S)NC1=CC=CC=C1OC(F)(F)F)C(N1CCOCC1)C1=CC=CS1
Molecular Formula
C19H22F3N3O2S2
Molecular Weight
445.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Triplin
CAS Number1421584-86-2
PubChem CID71778339
IUPAC Name1-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)-3-[2-(trifluoromethoxy)phenyl]thiourea
Molecular FormulaC19H22F3N3O2S2
Molecular Weight445.5
XLogP4
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity535
SMILES
CC(C(C1=CC=CS1)N2CCOCC2)NC(=S)NC3=CC=CC=C3OC(F)(F)F
InChI
InChI=1S/C19H22F3N3O2S2/c1-13(17(16-7-4-12-29-16)25-8-10-26-11-9-25)23-18(28)24-14-5-2-3-6-15(14)27-19(20,21)22/h2-7,12-13,17H,8-11H2,1H3,(H2,23,24,28)
InChIKey
BRAJYEOBULYXEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triplin
CAS: 1421584-86-2
CID: 71778339
Formula: C19H22F3N3O2S2
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass445.11055379
Monoisotopic Mass445.11055379
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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