2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid structure
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Common Name | 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid | ||
|---|---|---|---|---|
| CAS Number | 53602-61-2 | Molecular Weight | 352.53100 | |
| Density | 1.08g/cm3 | Boiling Point | 442.5ºC at 760mmHg | |
| Molecular Formula | C20H32O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 221.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.08g/cm3 |
|---|---|
| Boiling Point | 442.5ºC at 760mmHg |
| Molecular Formula | C20H32O3S |
| Molecular Weight | 352.53100 |
| Flash Point | 221.4ºC |
| Exact Mass | 352.20700 |
| PSA | 82.83000 |
| LogP | 5.72270 |
| Index of Refraction | 1.544 |
| InChIKey | CQGSORMFKDTILR-UHFFFAOYSA-N |
| SMILES | CCCCC(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-(3,5-ditert-b... CAS#:53602-61-2 |
| Literature: Wagner,E.R. et al. Journal of Medicinal Chemistry, 1977 , vol. 20, p. 1007 - 1013 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid |
| DH 990 |
| 3-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>hexansaeure |
| C20H32O3S |
| HEXANOIC ACID,2-(4-HYDROXY-3,5-DI-tert-BUTYLPHENYLTHIO) |
| 2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)hexanoic acid |
| 2-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)hexanoic acid |
| Hexanoic acid,2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio) |
| DL 990 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: Molecular formula of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is C20H32O3S. |
| Q: What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is CQGSORMFKDTILR-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: SMILES notation of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is CCCCC(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O. |
| Q: What are the upstream materials of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: Related upstream materials(CAS) of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid: 616-05-7;950-59-4. |
| Q: What English synonyms does 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid have? |
| A: English synonyms of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid: 2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid, DH 990, 3-hexansaeure, C20H32O3S, HEXANOIC ACID,2-(4-HYDROXY-3,5-DI-tert-BUTYLPHENYLTHIO), 2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)hexanoic acid, 2-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)hexanoic acid, Hexanoic acid,2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio), DL 990. |
| Q: What is the boiling point of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: Boiling point of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is 442.5ºC at 760mmHg. |
| Q: What is the Chinese name of 53602-61-2? |
| A: Chinese name of 53602-61-2 is 53602-61-2. |
| Q: What is the LogP of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: LogP of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is 5.72270. |
| Q: What is the polar surface area (PSA) of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: Polar surface area (PSA) of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is 82.83000. |
| Q: What is the CAS number of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid? |
| A: CAS number of 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid is 53602-61-2. |