4-(tert-Butyl)benzyl mercaptan
4-(tert-Butyl)benzyl mercaptan structure
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Common Name | 4-(tert-Butyl)benzyl mercaptan | ||
|---|---|---|---|---|
| CAS Number | 49543-63-7 | Molecular Weight | 180.310 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 256.2±9.0 °C at 760 mmHg | |
| Molecular Formula | C11H16S | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 102.3±8.9 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-tert-Butylbenzyl mercaptan |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 256.2±9.0 °C at 760 mmHg |
| Molecular Formula | C11H16S |
| Molecular Weight | 180.310 |
| Flash Point | 102.3±8.9 °C |
| Exact Mass | 180.097275 |
| PSA | 38.80000 |
| LogP | 4.43 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.528 |
| InChIKey | UIYKSYBJKIMANV-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(CS)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| HS Code | 2930909090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 3 | |
CAS#:120-51-4
CAS#:100-51-6
CAS#:340-04-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Efficient red luminescence from organic-soluble Au₂₅ clusters by ligand structure modification.
Nanoscale 7 , 14305-15, (2015) An efficient method to enhance visible luminescence in a visibly non-luminescent organic-soluble 4-(tert butyl)benzyl mercaptan (SBB)-stabilized Au25 cluster has been developed. This method relies mai... |
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Discovery and optimization of aminopyrimidinones as potent and state-dependent Nav1.7 antagonists.
Bioorg. Med. Chem. Lett. 22(2) , 1055-60, (2012) Clinical genetic data have shown that the product of the SCN9A gene, voltage-gated sodium ion channel Nav1.7, is a key control point for pain perception and a possible target for a next generation of ... |
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Synthesis of atomically precise silver clusters by using the miscibility principle. Ghosh A and Pradeep T.
European J. Org. Chem. 2014(31) , 5271-5275, (2014)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-tert-Butyl benzyl mercaptan |
| [4-(2-Methyl-2-propanyl)phenyl]methanethiol |
| MFCD00068220 |
| (4-tert-Butylphenyl)methanethiol |
| (4-(tert-Butyl)phenyl)methanethiol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 4-tert-Butylbenzyl mercaptan? |
| A: The English name of 4-tert-Butylbenzyl mercaptan is 4-tert-Butylbenzyl mercaptan. |
| Q: What are the downstream products of 4-tert-Butylbenzyl mercaptan? |
| A: Related downstream products(CAS) of 4-tert-Butylbenzyl mercaptan: 120-51-4;100-51-6;340-04-5. |
| Q: What is the CAS number of 4-tert-Butylbenzyl mercaptan? |
| A: CAS number of 4-tert-Butylbenzyl mercaptan is 49543-63-7. |
| Q: What is the molecular formula of 4-tert-Butylbenzyl mercaptan? |
| A: Molecular formula of 4-tert-Butylbenzyl mercaptan is C11H16S. |
| Q: What is the LogP of 4-tert-Butylbenzyl mercaptan? |
| A: LogP of 4-tert-Butylbenzyl mercaptan is 4.43. |
| Q: What is the polar surface area (PSA) of 4-tert-Butylbenzyl mercaptan? |
| A: Polar surface area (PSA) of 4-tert-Butylbenzyl mercaptan is 38.80000. |
| Q: What is the safety information for 4-tert-Butylbenzyl mercaptan? |
| A: Safety information for 4-tert-Butylbenzyl mercaptan: S26-S36. |
| Q: What is the molecular weight of 4-tert-Butylbenzyl mercaptan? |
| A: Molecular weight of 4-tert-Butylbenzyl mercaptan is 180.310. |
| Q: What is the boiling point of 4-tert-Butylbenzyl mercaptan? |
| A: Boiling point of 4-tert-Butylbenzyl mercaptan is 256.2±9.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 4-tert-Butylbenzyl mercaptan? |
| A: InChIKey of 4-tert-Butylbenzyl mercaptan is UIYKSYBJKIMANV-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |