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Methomyl-d3

CAT: 0931-TMIJ-0472-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0472-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1398109-07-3
Bioactivity
Methomyl-d3 is a deuterated compound of Methomyl.
Smiles
CSC(C)=NOC(NC([2H])([2H])[2H])=O
Molecular Formula
C5H7D3N2O2S
Molecular Weight
165.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methomyl-d3
CAS Number1398109-07-3
PubChem CID129318201
IUPAC Namemethyl N-(trideuteriomethylcarbamoyloxy)ethanimidothioate
Molecular FormulaC5H10N2O2S
Molecular Weight165.23
XLogP0.6
Topological Polar Surface Area76
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity147
SMILES
[2H]C([2H])([2H])NC(=O)ON=C(C)SC
InChI
InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/i2D3
InChIKey
UHXUZOCRWCRNSJ-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Methomyl-d3
CAS: 1398109-07-3
CID: 129318201
Formula: C5H10N2O2S
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass165.06512898
Monoisotopic Mass165.06512898
Topological Polar Surface Area76 Ų
Heavy Atom Count10
Formal Charge0
Complexity147
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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