(1-Isothiocyanatoethyl)benzene

CAS Registry Number®

4478-92-6

CAS Name

(1-Isothiocyanatoethyl)benzene

Molecular Formula

C9H9NS

Molecular Mass

163.24

Cite this Page

(1-Isothiocyanatoethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4478-92-6 (retrieved 2024-11-21) (CAS RN: 4478-92-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    122-123 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3

InChIKey

InChIKey=QQCJPTVZIZVKEZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC(C=1C=CC=CC1)C

Other Names for this Substance

  • Benzene, (1-isothiocyanatoethyl)-
  • Isothiocyanic acid, α-methylbenzyl ester
  • (1-Isothiocyanatoethyl)benzene
  • 1-Phenylethyl isothiocyanate
  • α-Methylbenzylisothiocyanate

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Deleted or Replaced CAS Registry Numbers

32393-32-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration