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Bufotenidine iodide

CAT: 0013-GTR19240727-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240727-02Size:50 mg
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Description
Bufotenidine iodide is an indole alkaloid toxin isolated from toad venom. It serves as a research tool for studying nicotinic acetylcholine receptors and has been utilized in both in vitro and in vivo neuropharmacological investigations.
CAS Number
5787-02-0
Field of Research
Metabolism Research
Smiles
[I-].OC=1C=CC=2NC=C (C2C1) CC[N+] (C) (C) C
Molecular Formula
C13H19IN2O
Molecular Weight
346.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CAS Number5787-02-0
PubChem CID870054
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
Molecular FormulaC10H9ClFN3S2
Molecular Weight289.8
XLogP3.8
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity250
SMILES
CNC1=NN=C(S1)SCC2=C(C=CC=C2Cl)F
InChI
InChI=1S/C10H9ClFN3S2/c1-13-9-14-15-10(17-9)16-5-6-7(11)3-2-4-8(6)12/h2-4H,5H2,1H3,(H,13,14)
InChIKey
FPJIPEPFRMCRTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CAS: 5787-02-0
CID: 870054
Formula: C10H9ClFN3S2
MW: 289.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass288.9910455
Monoisotopic Mass288.9910455
Topological Polar Surface Area91.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity250
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

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Alternative Products

CatalogName
HY-168360-01Bufotenidine (iodide)
TN8392-01Bufotenidine iodide
TN7062-01Bufotenidine
MBS5825555Bufotenidine hydrochloride (487-91-2 Free base)
S01YF-0223-KX330TO Iodide
MA-0228Iodide
056195-01Cuprous Iodide for Synthesis (Copper (I) Iodide)
IN12525-01Bis[ (tetrabutylammonium iodide) copper (I) iodide]
SB0283Sodium iodide
HAA16173-01Thiocholine iodide

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