CAS 7340-90-1

2-Methyl-5-tert-butylthiophenol

Description:

2-Methyl-5-tert-butylthiophenol, with the CAS number 7340-90-1, is an organic compound belonging to the class of thiophenols, which are characterized by the presence of a thiol (-SH) group attached to a thiophene ring. This particular compound features a methyl group and a tert-butyl group as substituents on the thiophene ring, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid with a distinct odor. The presence of the thiol group imparts notable reactivity, allowing it to participate in various chemical reactions, including nucleophilic substitutions and oxidation processes. Additionally, the bulky tert-butyl group can influence the compound's steric hindrance, affecting its reactivity and interactions with other molecules. 2-Methyl-5-tert-butylthiophenol may be utilized in organic synthesis and as an intermediate in the production of other chemical compounds. Safety precautions should be observed when handling this substance, as thiophenols can be toxic and have potential environmental impacts.

Formula: C₁₁H₁₆S

InChI: InChI=1S/C11H16S/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7,12H,1-4H3

InChI key: InChIKey=ZSBNXOIAJFVXMP-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=CC(S)=C(C)C=C1

Synonyms:

• 2-Methyl-5-tert-butylthiophenol
• 444-970-7
• 5-(1,1-Dimethylethyl)-2-methylbenzenethiol
• 5-Tert-Butyl-2-Methylbenzenethiolate
• 5-tert-Butyl-2-methylbenzenethiol
• 5-tert-Butyl-2-methylbenzenthiol
• 5-tert-Butyl-o-toluenethiol
• Benzenethiol, 5-(1,1-Dimethylethyl)-2-Methyl-
• Shr B1 Ex1& 1& 1
• o-Toluenethiol, 4-tert-butyl-
• o-Toluenethiol, 5-tert-butyl-

5-tert-Butyl-2-methylbenzenethiol

CAS: 7340-90-1

Formula: C₁₁H₁₆S

Purity: >90.0%(GC)

Color and Shape: Colorless to Light yellow to Light orange clear liquid

Molecular weight: 180.31

Ref: 3B-B1691

5-Tert-Butyl-2-Methylthiophenol

CAS: 7340-90-1

5-Tert-Butyl-2-Methylthiophenol

Formula: C₁₁H₁₆S

Purity: 99%

Molecular weight: 180.31

Ref: 54-OR1023558

5-tert-Butyl-2-methylbenzenethiol

CAS: 7340-90-1

Formula: C₁₁H₁₆S

Color and Shape: Liquid

Molecular weight: 180.3097

Ref: IN-DA003MYQ

5-tert-Butyl-2-methylthiophenol

CAS: 7340-90-1

5-tert-Butyl-2-methylthiophenol (5BMS) is a skin irritant that is used in regenerative medicine as an alternative to animal testing. 5BMS has been shown to be a potent inhibitor of COX1 and COX2, and it inhibits the synthesis of prostaglandin E2 by inhibiting the activity of the enzyme cyclooxygenase (COX). 5BMS has also been shown to inhibit other enzymes involved in inflammatory responses, such as lipoxygenase, leukotriene C4 synthase, and thromboxane A2 synthase. The use of 5BMS for skin irritation studies has been validated in vivo using a skin model with histology and regulatory tissues including human skin tissue. This test is done on isolated human tissues or cells under conditions that replicate potential exposure conditions.

Formula: C₁₁H₁₆S

Purity: Min. 90 Area-%

Color and Shape: Clear Liquid

Molecular weight: 180.31 g/mol

Ref: 3D-FT175638