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Iprobenfos

CAT: 0931-T25539-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25539-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26087-47-8
Target
Others, Antifungal, Cholinesterase (ChE)
Related Pathways
Neuroscience, Others, Microbiology/Virology
Bioactivity
Iprobenfos (IBP) is used as an organophosphorus pesticide.
Smiles
O=P(OC(C)C)(OC(C)C)SCC=1C=CC=CC1
Molecular Formula
C13H21O3PS
Molecular Weight
288.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Iprobenfos

Iprobenfos is an organic thiophosphate that is the S-benzyl O,O-diisopropyl ester of phosphorothioic acid. Used as a rice fungicide to control leaf and ear blast, stem rot and sheath blight. It has a role as a phospholipid biosynthesis inhibitor and an antifungal agrochemical.

CAS Number26087-47-8
PubChem CID33294
IUPAC Namedi(propan-2-yloxy)phosphorylsulfanylmethylbenzene
Molecular FormulaC13H21O3PS
Molecular Weight288.34
XLogP3.2
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity261
SMILES
CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
InChI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey
FCOAHACKGGIURQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iprobenfos
CAS: 26087-47-8
CID: 33294
Formula: C13H21O3PS
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass288.09490270
Monoisotopic Mass288.09490270
Topological Polar Surface Area60.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity261
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
461319Iprobenfos
452451Iprobenfos-d5
HY-B1863RIprobenfos (Standard)
S-60881000 ug/mL Iprobenfos in Acetonitrile - 1ML

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