5-[(2,2,2-trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol CAS 156377-70-7
| CAS No. | 156377-70-7 |
| Molecular Formula | C4H4F3N3S2 |
| Molecular Weight | 215.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-[(2,2,2-trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol is closely related to a nitrile group, sulfur-containing functionality, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-[(2,2,2-trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 156377-70-7), a certified reference material (molecular formula C4H4F3N3S2, MW 215.22 g/mol) for analytical method development and quality control.
Structurally, 5-[(2,2,2-trifluoroethyl)amino]-1,3,4-thiadiazole-2-thiol (C4H4F3N3S2) contains a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 215.22 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H4F3N3S2 |
| Molecular Weight | 215.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2001 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related trifluoroethyl Standards
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- 2,2,2-trifluoroethyl N-(3-methoxypropyl)carbamate (CAS 1221724-58-8)
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- 3-(2,2,2-Trifluoroethyl)-1H-pyrazolo[3,4-b]pyridin-5-amine (CAS 1186610-02-5)
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Recommended Standards
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- 2-Chloro-N-((2,3-dihydrobenzo[b][1,4]dioxin-5-yl)methyl)-N-methylacetamide (CAS 1353983-62-6)
- 6-Amino-2-methylbenzo[d]oxazol-4-ol (CAS 88172-83-2)
- 3-Bromo-5-(difluoromethoxy)thiophenol (CAS 1807116-70-6)
- 2-(3-Methoxyphenyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-thione (CAS 866142-94-1)
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