N-Desmethylthiamethoxam
Impurity reference standard
- CAS number
- 171103-04-1
- InChIKey
- LOXCNVOJGRNBFX-UHFFFAOYSA-N
- Molecular formula
- C7H8ClN5O3S
- Molecular weight
- 277.69
- Exact mass
- 277.0036 Da
About N-Desmethylthiamethoxam
N-Desmethylthiamethoxam is supplied as an analytical reference standard. It is registered under CAS number 171103-04-1.
The compound is characterised by its molecular formula C7H8ClN5O3S and a molecular weight of 277.69, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 277.0036 Da, a calculated LogP of 0.68, a topological polar surface area of 92.89 Ų. It presents 1 hydrogen-bond donor and 7 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 0.68
- Topological polar surface area
- 92.89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Rings
- 2
- Elemental composition
- C 30.28% · Cl 12.77% · H 2.90% · N 25.22% · O 17.28% · S 11.55%
Frequently asked questions
Does N-Desmethylthiamethoxam come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is N-Desmethylthiamethoxam uniquely identified?
The InChIKey LOXCNVOJGRNBFX-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for N-Desmethylthiamethoxam?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for N-Desmethylthiamethoxam?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.