N-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine
Impurity reference standard
- CAS number
- 135018-15-4
- InChIKey
- ZTLCLYBKONTDBT-UHFFFAOYSA-N
- Molecular formula
- C5H6ClN5O2S
- Molecular weight
- 235.65
- Exact mass
- 234.9931 Da
About N-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine
N-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine is supplied as an analytical reference standard. It is registered under CAS number 135018-15-4.
The compound is characterised by its molecular formula C5H6ClN5O2S and a molecular weight of 235.65, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 234.9931 Da, a calculated LogP of 0.60, a topological polar surface area of 103.94 Ų. It presents 3 hydrogen-bond donors and 5 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
- 103.94 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Rings
- 1
- Elemental composition
- C 25.48% · Cl 15.04% · H 2.57% · N 29.72% · O 13.58% · S 13.61%
Frequently asked questions
Does N-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine 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-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine uniquely identified?
The InChIKey ZTLCLYBKONTDBT-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-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine?
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-[(2-Chloro-5-thiazolyl)methyl]-N＇-nitroguanidine?
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.