5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazole-2(3H)-thione CAS 444791-16-6
| CAS No. | 444791-16-6 |
| Molecular Formula | C9H7ClN2S3 |
| Molecular Weight | 274.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazole-2(3H)-thione (CAS 444791-16-6), molecular formula C9H7ClN2S3 and molecular weight 274.81 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazole-2(3H)-thione (C9H7ClN2S3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. 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 274.81 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C9H7ClN2S3 |
| Molecular Weight | 274.81 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Chlorobenzyl Standards
- 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol (CAS 345991-75-5)
- 1-(4-Chlorobenzyl)-1H-benzimidazole-2-thiol (CAS 100622-93-3)
- 1-(2-Chlorobenzyl)-1h-benzo[d]imidazole-2-thiol (CAS 312290-68-9)
- 2-((4-Chlorobenzyl)thio)-1h-benzo[d]imidazole (CAS 23976-76-3)
- 1-(2-Chlorobenzyl)-3-(p-tolyl)urea (CAS 138111-35-0)
- 2-(4-Chlorobenzyl)-5,6,7,8-tetrahydroquinazolin-4(1H)-one (CAS 87753-20-6)
- 2-((3-Chlorobenzyl)oxy)-3,4-dimethylbenzaldehyde (CAS 1427021-14-4)
- 2-((4-Chlorobenzyl)oxy)-3,4-dimethylbenzaldehyde (CAS 1427027-25-5)
Recommended Standards
- 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 4858-38-2)
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- 2,4-Dichloro-5-(trifluoromethoxy)phenylboronic acid (CAS 1256354-96-7)
- Chlorpheniramine (CAS 132-22-9)
- 2-(tert-Butylamino)pyrimidine-4-carbaldehyde (CAS 1260759-43-0)
- methyl 2-fluoro-2-(2-methoxy-4-pyridyl)propanoate (CAS 2755892-82-9)
- (S)-1-((S)-2-Acetamidopropanoyl)-N-((S)-1-amino-1-oxopropan-2-yl)-N-methylpyrrolidine-2-carboxamide (CAS 58595-31-6)
- Ethyl N-allyl-N-aminoglycinate (CAS 671198-40-6)
- 4-(2,2,2-Trifluoroacetyl)benzoic acid (CAS 58808-59-6)
- (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)-2-methylpropanoic acid (CAS 220155-72-6)
- (E)-6-(p-tolylthio)nicotinaldehyde O-(2,4-dichlorobenzyl) oxime (CAS 338960-63-7)
- 4-(Dimethylamino)-2,3-dimethylbenzaldehyde (CAS 713125-76-9)
- 4-(2-Methoxyphenyl)-2-methylbutan-2-amine (CAS 72734-73-7)
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