2,3,4,5-Tetrahydrobenzo[b]thiepin-5-ol CAS 20500-27-0
| CAS No. | 20500-27-0 |
| Molecular Formula | C10H12OS |
| Molecular Weight | 180.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 180.27 g/mol gives 2,3,4,5-Tetrahydrobenzo[b]thiepin-5-ol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2,3,4,5-Tetrahydrobenzo[b]thiepin-5-ol (CAS 20500-27-0), molecular formula C10H12OS and molecular weight 180.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2,3,4,5-Tetrahydrobenzo[b]thiepin-5-ol (C10H12OS) is characterized by sulfur-containing functionality, a hydroxyl group, an ether linkage, an aromatic ring system. 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C10H12OS |
| Molecular Weight | 180.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Sulfur Atoms | 1 |
Related Tetrahydrobenzo Standards
- 7-Methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carbaldehyde (CAS 1710345-17-7)
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- 4-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carbaldehyde (CAS 1343887-11-5)
- 5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid (CAS 832737-91-4)
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Recommended Standards
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- 2,5-Dimethyl-4-(methylthio)benzaldehyde (CAS 2586125-80-4)
- 4-Hydroxy-3-methyl-6-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid (CAS 1420792-96-6)
- (R)-1-(4-((Difluoromethyl)thio)phenyl)ethan-1-amine (CAS 1334160-86-9)
- 6,7-Dichloro-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine (CAS 19918-41-3)
- 1-(Ethenyloxy)-4-nitrobenzene (CAS 940-14-7)
- 2-Amino-4-bromo-6-fluorobenzonitrile (CAS 1279865-14-3)
- 3,3,3-Trifluoro-2-hydroxy-2-trifluoromethylpropionic Acid (CAS 662-22-6)
- 3-(Pyrrolidin-1-ylmethyl)-1,4-thiazepane (CAS 1350988-98-5)
- 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one Hydrochloride (CAS 69981-00-6)
- 2-(Hydroxymethyl)benzo[d]oxazole-7-carbonyl chloride (CAS 1803830-13-8)
- Delicious Peptide (bovine) (CAS 73984-05-1)
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