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Bensultap

CAT: 0931-T19809-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T19809-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17606-31-4
Target
AChR, Others
Related Pathways
Others, Neuroscience
Bioactivity
Bensultap is an agricultural chemical typically used as a pesticide.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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