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Bensultap

CAT: 0013-GTR19202902-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202902-03Size:50 mg
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Description
Bensultap is a small molecule insecticide used in agricultural research. It serves as a valuable chemical tool for investigating pest control mechanisms in both in vitro biochemical assays and in vivo entomological studies.
CAS Number
17606-31-4
Field of Research
Neuroscience
Smiles
CN (C) C (CSS (=O) (=O) C1=CC=CC=C1) CSS (=O) (=O) C1=CC=CC=C1
Molecular Formula
C17H21NO4S4
Molecular Weight
431.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bensultap

Bensultap is a nereistoxin analogue insecticide.

CAS Number17606-31-4
PubChem CID87176
IUPAC Name1,3-bis(benzenesulfonylsulfanyl)-N,N-dimethylpropan-2-amine
Molecular FormulaC17H21NO4S4
Molecular Weight431.6
XLogP3.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity558
SMILES
CN(C)C(CSS(=O)(=O)C1=CC=CC=C1)CSS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO4S4/c1-18(2)15(13-23-25(19,20)16-9-5-3-6-10-16)14-24-26(21,22)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKey
YFXPPSKYMBTNAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bensultap
CAS: 17606-31-4
CID: 87176
Formula: C17H21NO4S4
MW: 431.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass431.03534285
Monoisotopic Mass431.03534285
Topological Polar Surface Area139 Ų
Heavy Atom Count26
Formal Charge0
Complexity558
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

Alternative Products

CatalogName
MBS5772149Bensultap

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