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Dimethenamid-d3

CAT: 0572-TRC-D460582-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460582-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246816-31-8
Synonyms
2-Chloro-N-(2,4-dimethyl-3-thienyl)-N-[2-(methoxy-d3)-1-methylethyl]acetamide; Fieldstar-d3; Frontier-d3; SAN 582-d3; SAN 582H-d3;
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C(CCl)N(C(C)COC([2H])([2H])[2H])C1=C(C)SC=C1C
Molecular Formula
C12H15D3ClNO2S
Molecular Weight
278.81
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dimethenamid-d3
CAS Number1246816-31-8
PubChem CID121487894
IUPAC Name2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[1-(trideuteriomethoxy)propan-2-yl]acetamide
Molecular FormulaC12H18ClNO2S
Molecular Weight278.81
XLogP2.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity265
SMILES
[2H]C([2H])([2H])OCC(C)N(C1=C(SC=C1C)C)C(=O)CCl
InChI
InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/i4D3
InChIKey
JLYFCTQDENRSOL-GKOSEXJESA-N
Chemical Structure
2D Structure
2D structure of Dimethenamid-d3
CAS: 1246816-31-8
CID: 121487894
Formula: C12H18ClNO2S
MW: 278.81
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.81
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass278.0935079
Monoisotopic Mass278.0935079
Topological Polar Surface Area57.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity265
Isotope Atom Count3
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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