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Tetrasul

CAT: 0931-T20916-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20916-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227-13-6
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Tetrasulis a chemical compound from the group of diphenyls and thioethers.
Smiles
ClC1=CC=C(SC2=CC(Cl)=C(Cl)C=C2Cl)C=C1
Molecular Formula
C12H6Cl4S
Molecular Weight
324.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
BA2229-25Tetrasul
HY-124901S-01Tetrasul-d4
HY-124901RTetrasul (Standard)

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