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Tetrasul

CAT: 0013-GTR19201987-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201987-01Size:25 mg
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Description
Tetrasulis is a diphenyl thioether compound used as a research chemical. It serves as a biochemical tool in in vitro studies for investigating thioether interactions and as a potential scaffold in medicinal chemistry research for novel compound development.
CAS Number
2227-13-6
Field of Research
Infectious Disease & Virology
Smiles
ClC1=CC=C (SC2=CC (Cl) =C (Cl) C=C2Cl) C=C1
Molecular Formula
C12H6Cl4S
Molecular Weight
324.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrasul

Tetrasul is an organochlorine compound.

CAS Number2227-13-6
PubChem CID16685
IUPAC Name1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene
Molecular FormulaC12H6Cl4S
Molecular Weight324.0
XLogP6.5
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity243
SMILES
C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKey
QUWSDLYBOVGOCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrasul
CAS: 2227-13-6
CID: 16685
Formula: C12H6Cl4S
MW: 324.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.0
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass323.891482
Monoisotopic Mass321.894432
Topological Polar Surface Area25.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity243
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-124901-01Tetrasul
HY-124901S-01Tetrasul-d4
HY-124901RTetrasul (Standard)

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