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CAS 49543-63-7

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[4-(tert-butyl)phenyl]methanethiol

Description:
[4-(tert-butyl)phenyl]methanethiol, with the CAS number 49543-63-7, is an organic compound characterized by the presence of a thiol functional group (-SH) attached to a methylene bridge (-CH2-) that connects to a para-substituted tert-butylphenyl group. This compound typically exhibits a strong, distinctive odor due to the thiol group, which is known for its pungent smell. It is a colorless to pale yellow liquid at room temperature and is soluble in organic solvents, while being less soluble in water. The presence of the bulky tert-butyl group enhances its steric hindrance, which can influence its reactivity and interactions with other molecules. [4-(tert-butyl)phenyl]methanethiol may be used in various applications, including as a reagent in organic synthesis or as a potential intermediate in the production of other chemical compounds. Its properties, such as boiling point and density, can vary based on environmental conditions and purity. Safety precautions should be taken when handling this compound due to its potential toxicity and reactivity.
Formula:C11H16S
InChI:InChI=1/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
SMILES:CC(C)(C)c1ccc(cc1)CS
Synonyms:
  • 4-(tert-Butyl)benzyl mercaptan
  • 4-(1,1-Dimethylethyl)benzenemethanethiol
  • p-tert-Butylbenzyl mercaptan
  • 4-(Tert-Buty1)Benzy1 Mercaptan
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