4-tert-Butylbenzyl mercaptan
ALDRICH/548715
Synonym: 4-tert-
CAS Number: 49543-63-7
Empirical Formula (Hill Notation): C11H16S
Molecular Weight: 180.31
MDL Number: MFCD00068220
Linear Formula: (CH3)3CC6H4CH2SH
Product Type: Chemical
| bp | 102-103 °C/3.1 mmHg (lit.) |
| density | 0.966 g/mL at 25 °C (lit.) |
| InChI | 1S/C11H16S/c1-11(2,3)10-6 |
| InChI key | UIYKSYBJKIMANV-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)(C)c1ccc(CS)cc1 |
| Application: | 4-tert-Butylbenzyl mercaptan (BBSH) may be used in the preparation of N-Me-aminopyrimidinone derivatives, which are potent state-dependent inhibitor of Nav1.7 (Nav= voltage-gated sodium channel). It may also be used to synthesize organic-soluble, atomically precise array of silver clusters via a novel approach based on the miscibility principle while avoiding the use of phase-transfer agents. |
| Application: | Reactant for: • Stereoselective thiourea-catalyzed sulfa-Michael addition • Nucleophilic substitution reactions • Urea-catalyzed trans-thioesterification • Sc-catalyzed Michael addition • Copper-catalyzed decarboxylative cross-coupling |
| General description: | 4-tert-Butylbenzyl mercaptan is a benzyl mercaptan derivative that is commonly used as a ligand for synthesizing metal clusters. |
| Packaging: | 25 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 3334 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 162.0 °F - closed cup |
| Flash Point(C) | 72.2 °C - closed cup |
| bp | 102-103 °C/3.1 mmHg (lit.) |
| Density | 0.966 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |