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522929

Sigma-Aldrich

3,5-Dimethylbenzenethiol

90%

Synonym(s):

3,5-Dimethylthiophenol

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About This Item

Linear Formula:
(CH3)2C6H3SH
CAS Number:
Molecular Weight:
138.23
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

90%

refractive index

n20/D 1.568 (lit.)

bp

127.5 °C/50 mmHg (lit.)

density

1.015 g/mL at 25 °C (lit.)

SMILES string

Cc1cc(C)cc(S)c1

InChI

1S/C8H10S/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

InChI key

CESBAYSBPMVAEI-UHFFFAOYSA-N

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General description

3,5-Dimethylbenzenethiol is an organic building block. It is also referred to as 5-mercapto-m-xylene.

Application

3,5-Dimethylbenzenethiol may be employed as a starting reagent in the preparation of Lithium 2-lithio-3,5-dimethylbenzenethiolate. It may also be used in the preparation of 1,1,2-trichloro-4-(3,5-dimethylphenylthio)-1-buten-3-yne and 1,1,2,4-tetrachloro-4-(3,5-dimethylphenylthio)-1,3-butadiene.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

185.0 °F - closed cup

Flash Point(C)

85 °C - closed cup


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Directed lithiation of arenethiols.
Smith K, et al.
Journal of the American Chemical Society, 111(2), 665-669 (1989)
Ibis C and Sahin A.
Bull. Korean Chem. Soc., 31(8), 2255-2260 (2010)
Homan Kang et al.
Scientific reports, 5, 10144-10144 (2015-05-29)
Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinct encoding/decoding methods such as chemical encoding, graphical encoding, and optical encoding have been

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