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BTR-1

CAT: 0931-T5822-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T5822-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18331-34-5
Target
Apoptosis
Related Pathways
Apoptosis
Purity
0.98
Bioactivity
5-Benzylidene-3-ethyl rhodanine (BTR-1 (5-Benzylidene-3-ethyl rhodanine) ) is an active anti-cancer agent. BTR-1 activates apoptosis and induces cell death.
Smiles
CCN1C(=S)S\C(=C/c2ccccc2)C1=O
Molecular Formula
C12H11NOS2
Molecular Weight
249.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
CAS Number18331-34-5
PubChem CID205607
IUPAC Name5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular FormulaC12H11NOS2
Molecular Weight249.4
XLogP3.3
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity332
SMILES
CCN1C(=O)C(=CC2=CC=CC=C2)SC1=S
InChI
InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
ZQDPYAPUFMILTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
CAS: 18331-34-5
CID: 205607
Formula: C12H11NOS2
MW: 249.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass249.02820632
Monoisotopic Mass249.02820632
Topological Polar Surface Area77.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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