4-Nitrosothiomorpholine 1,1-dioxide
Impurity reference standard
- CAS number
- 2245709-19-5
- InChIKey
- BFISQPALYIVBKK-UHFFFAOYSA-N
- Molecular formula
- C4H8N2O3S
- Molecular weight
- 164.18
- Exact mass
- 164.0256 Da
About 4-Nitrosothiomorpholine 1,1-dioxide
4-Nitrosothiomorpholine 1,1-dioxide is supplied as an analytical reference standard. It is registered under CAS number 2245709-19-5.
The compound is characterised by its molecular formula C4H8N2O3S and a molecular weight of 164.18, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 164.0256 Da, a calculated LogP of -0.60, a topological polar surface area of 66.81 Ų. It presents 0 hydrogen-bond donors and 4 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)
- -0.60
- Topological polar surface area
- 66.81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Rings
- 1
- Elemental composition
- C 29.26% · H 4.91% · N 17.06% · O 29.23% · S 19.53%
Frequently asked questions
Does 4-Nitrosothiomorpholine 1,1-dioxide 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 4-Nitrosothiomorpholine 1,1-dioxide uniquely identified?
The InChIKey BFISQPALYIVBKK-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 4-Nitrosothiomorpholine 1,1-dioxide?
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 4-Nitrosothiomorpholine 1,1-dioxide?
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.