2,4,6-Tris(1,1-dimethylethyl)benzenethiol

CAS Registry Number®

961-39-7
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CAS Name

2,4,6-Tris(1,1-dimethylethyl)benzenethiol

Molecular Formula

C18H30S

Molecular Mass

278.50

Cite this Page

2,4,6-Tris(1,1-dimethylethyl)benzenethiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=961-39-7 (retrieved 2024-09-15) (CAS RN: 961-39-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H30S/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

InChIKey

InChIKey=USBODICZKVQDMW-UHFFFAOYSA-N

SMILES

C(C)(C)(C)C1=C(S)C(C(C)(C)C)=CC(C(C)(C)C)=C1

Canonical SMILES

SC=1C(=CC(=CC1C(C)(C)C)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Benzenethiol, 2,4,6-tris(1,1-dimethylethyl)-
  • Benzenethiol, 2,4,6-tri-tert-butyl-
  • 2,4,6-Tris(1,1-dimethylethyl)benzenethiol
  • 2,4,6-Tri-tert-butylbenzenethiol
  • 2,4,6-Tritert-butylbenzenethiol