4-Allyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol CAS 522597-46-2
| CAS No. | 522597-46-2 |
| Molecular Formula | C13H15N3S2 |
| Molecular Weight | 277.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-Allyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol (C13H15N3S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 4-Allyl-5-(4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 522597-46-2), a certified reference material (molecular formula C13H15N3S2, MW 277.41 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.
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 | C13H15N3S2 |
| Molecular Weight | 277.41 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Allyl Standards
- 1-Allyl-3-(4-morpholinophenyl)thiourea (CAS 19318-84-4)
- 4-Allyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 122772-21-8)
- 4-Allyl-5-((4-methoxyphenoxy)methyl)-4h-1,2,4-triazole-3-thiol (CAS 669740-18-5)
- 4-Allyl-5-(2-methoxy-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol (CAS 792941-75-4)
- 4-Allyl-2,4-diphenyloxazol-5(4H)-one (CAS 53777-96-1)
- n-Allyl-2,6-difluoro-n-(2-hydroxyethyl)benzenesulfonamide (CAS 1428005-25-7)
- N-Allyl-2-(1-(2-hydroxyethyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide (CAS 900011-78-1)
- 6-Allyl-4-amino-2-(trifluoromethyl)quinoline-3-carbonitrile (CAS 1260863-08-8)
Recommended Standards
- 4-(Thiophen-2-yl)-4,6,7,8-tetrahydro-1H-5,8-ethanopyrido[3,2-d]pyrimidine-2(3H)-thione (CAS 82955-23-5)
- 5-(Thiophen-2-ylthio)thiophene-2-sulfonamide (CAS 63033-64-7)
- 1-[2-(Prop-2-en-1-ylsulfanyl)thieno[3,2-d]pyrimidin-4-yl]pyrrolidine (CAS 339019-35-1)
- N,N-dimethyl-4-(((3-morpholinopropyl)amino)methyl)aniline (CAS 436096-94-5)
- Carbaryl Impurity 7 (CAS 4089-04-7)
- N-(3-Fluorobenzyl)-1-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)methanamine hydrochloride (CAS 1856032-37-5)
- 3-Aminopyrrolidine-2-carboxylic acid (CAS 24279-08-1)
- 3-Methyl-4,5-dihydro-1H-benzo[g]indole-2-carboxylic acid (CAS 269749-54-4)
- 4-(Tert-butoxy)-3-fluoroaniline (CAS 1039941-26-8)
- Ethyl 2-bromo-6-methoxybenzoate (CAS 1214387-55-9)
- 1-Allyl-3-(3-chloro-4-methoxybenzyl)thiourea (CAS 478249-57-9)
- 3-Keto-7α,12α-dihydroxy-5α-cholanic Acid (CAS 16265-24-0)
- Glipizide Impurity 12 (CAS CATO-C4X-140712)
- Semaglutide impurity 197 (CAS CATO-C4X-2226197)
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