548715
4-tert-Butylbenzyl mercaptan
Synonym(s):
4-tert-Butylbenzenemethanethiol, 4-tert-Butylbenzylthiol, 4-tert-Butylphenylmethanethiol, p-tert-Butylbenzenemethanethiol, p-tert-Butylbenzyl mercaptan
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About This Item
Linear Formula:
(CH3)3CC6H4CH2SH
CAS Number:
Molecular Weight:
180.31
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
refractive index
n
Quality Segment
bp
102-103 °C/3.1 mmHg (lit.)
density
0.966 g/mL at 25 °C (lit.)
functional group
thiol
SMILES string
CC(C)(C)c1ccc(CS)cc1
InChI
1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChI key
UIYKSYBJKIMANV-UHFFFAOYSA-N
General description
4-tert-Butylbenzyl mercaptan is a benzyl mercaptan derivative that is commonly used as a ligand for synthesizing metal clusters.
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.
Reactant for:
- Stereoselective thiourea-catalyzed sulfa-Michael addition
- Nucleophilic substitution reactions
- Urea-catalyzed trans-thioesterification
- Sc-catalyzed Michael addition
- Copper-catalyzed decarboxylative cross-coupling
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
162.0 °F - closed cup
flash_point_c
72.2 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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