4-tert-butylthiophenol

Synonyms: "4-tert-butylthiophenol", "4-tert-butylbenzenethiol", "p-tert-butylthiophenol", "p-tert-butylbenzenethiol", "p-t-Butylthiophenol", "p-tert-butylphenyl mercaptan","4-(tert-butyl)thiophenol", "4-t-butylthiophenol", "4-tert-butyl-benzenethiol", "4-tert-butylbenzene-1-thiol".

Source: 4-tert-Butylthiophenol is used as a pharmaceutical intermediate.

Identifiers:

IUPAC Name: 4-tert-butylbenzenethiol
CAS Number: 2396-68-1
PubChem ID: 75454
InChiKey: GNXBFFHXJDZGEK-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)S

Structural Properties:

Molecular Formula: C₁₀H₁₄S
Molecular Weight: 166.282

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 11

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3D structure (.sdf)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Tollefsen KE, Eikvar S, Finne EF, Fogelberg O, Gregersen IK. 2008. Estrogenicity of alkylphenols and alkylated non-phenolics in a rainbow trout (Oncorhynchus mykiss) primary hepatocyte culture. Ecotoxicol Environ Saf 71(2):370-383. DOI: 10.1016/j.ecoenv.2007.10.006. URL: https://www.sciencedirect.com/science/article/pii/S0147651307002400?via%3Dihub.