3-(4-(tert-Butyl)phenyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5(4H)-thione CAS 175334-68-6
| CAS No. | 175334-68-6 |
| Molecular Formula | C16H23N3OS |
| Molecular Weight | 305.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-(4-(tert-Butyl)phenyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5(4H)-thione (C16H23N3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 305.44 g/mol, it falls into the moderately-high-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.
CATO supplies 3-(4-(tert-Butyl)phenyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 175334-68-6), a certified reference material (molecular formula C16H23N3OS, MW 305.44 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-(4-(tert-Butyl)phenyl)-4-(3-methoxypropyl)-1H-1,2,4-triazole-5(4H)-thione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H23N3OS |
| Molecular Weight | 305.44 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2007 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- Ethyl 8-phenyl-1-thia-4-azaspiro[4.5]Decane-3-carboxylate (CAS 158745-64-3)
- 3-[2-(diisopropylamino)ethyl]-2-mercaptoquinazolin-4(3H)-one (CAS 730951-04-9)
- 1-(4-(((4-Methoxyphenyl)thio)methyl)piperidin-1-yl)but-2-en-1-one (CAS 1421587-53-2)
- 3-Amino-7-(1,1-dimethylpropyl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 932886-93-6)
- 3-(2-Chlorophenyl)-1H-pyrrole-2,5-dione (CAS 21724-91-4)
- 5-(3-Chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 632292-08-1)
- 2-Fluoro-4-(thiophen-2-yl)benzoic acid (CAS 505082-90-6)
- Bis(trifluoromethyl) disulfide (CAS 372-64-5)
- (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylmethyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 1229337-32-9)
- Permanent Yellow Rn (CAS 6528-34-3)
- Methyl (1R,3R)-3-aminocyclohexane-1-carboxylate (CAS 1821656-06-7)
- Canagliflozin Impurity 108 (CAS 1908474-06-5)
- 4-((4-Fluorophenyl)thio)aniline (CAS 24900-69-4)
- Semaglutide impurity 77 (CAS CATO-C4X-222677)
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