2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

CAS Registry Number®

80058-93-1

CAS Name

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene

Molecular Formula

C19H21NOS

Molecular Mass

311.44

Cite this Page

2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80058-93-1 (retrieved 2025-01-30) (CAS RN: 80058-93-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3

InChIKey

InChIKey=ZZNJNNXQRSAGSP-UHFFFAOYSA-N

SMILES

N(=C=S)C1=C(C(C)C)C=C(OC2=CC=CC=C2)C=C1C(C)C

Canonical SMILES

S=C=NC=1C(=CC(OC=2C=CC=CC2)=CC1C(C)C)C(C)C

Other Names for this Substance

  • Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-
  • 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene
  • 1,3-Diisopropyl-2-isothiocyanato-5-phenoxybenzene