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Fenthion Sulfoxide

CAT: 0572-TRC-F278010-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F278010-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3761-41-9
Hazard Statement
Toxic if swallowed; UN number: UN3464; Packing Group: III
Purity
>95% (HPLC)
Smiles
COP(=S)(OC)Oc1ccc(c(C)c1)S(=O)C
Molecular Formula
C10 H15 O4 P S2
Molecular Weight
294.33
InChI
InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
Additionnal Information
IUPAC name: dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-λ^{5}-phosphane
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mesulfenfos
CAS Number3761-41-9
PubChem CID19577
IUPAC Namedimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
Molecular FormulaC10H15O4PS2
Molecular Weight294.3
XLogP2.7
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity315
SMILES
CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
InChI
InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
InChIKey
DLAPIMGBBDILHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mesulfenfos
CAS: 3761-41-9
CID: 19577
Formula: C10H15O4PS2
MW: 294.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.3
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass294.01493830
Monoisotopic Mass294.01493830
Topological Polar Surface Area96.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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