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Probenazole

CAT: 0127-OR1078424-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1078424-01Size:250 mg
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CAS Number
27605-76-1
Synonyms
3- (Allyloxy) benzo[d]isothiazole 1,1-Dioxide / 3- (Allyloxy) -1,2-benzothiazole 1,1-Dioxide
MDL Number
MFCD00274602
Purity
>95.0%
Smiles
C=CCOC1=NS (=O) (=O) C2=CC=CC=C21

Chemical Information

Probenazole

Probenazole is a member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. It has a role as a plant activator and an antifungal agrochemical. It is an aromatic ether, a sulfone, a 1,2-benzisothiazole and a benzothiazole fungicide. It is functionally related to a saccharin.

CAS Number27605-76-1
PubChem CID91587
IUPAC Name3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
Molecular FormulaC10H9NO3S
Molecular Weight223.25
XLogP1.4
Topological Polar Surface Area64.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity380
SMILES
C=CCOC1=NS(=O)(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2
InChIKey
WHHIPMZEDGBUCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Probenazole
CAS: 27605-76-1
CID: 91587
Formula: C10H9NO3S
MW: 223.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.25
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass223.03031432
Monoisotopic Mass223.03031432
Topological Polar Surface Area64.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity380
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
CS-T-85716Probenazole

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