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Etridiazole

CAT: 1596-AR-E10848-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
2593-15-9
Molecular Formula
C5H5Cl3N2OS
Molecular Weight
247.52
API Name
Etridiazole

Chemical Information

Etridiazole

Terrazole can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number2593-15-9
PubChem CID17432
IUPAC Name5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole
Molecular FormulaC5H5Cl3N2OS
Molecular Weight247.5
XLogP2.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CCOC1=NC(=NS1)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
InChIKey
KQTVWCSONPJJPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etridiazole
CAS: 2593-15-9
CID: 17432
Formula: C5H5Cl3N2OS
MW: 247.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight247.5
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass245.918817
Monoisotopic Mass245.918817
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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