(2-Isothiocyanatopropyl)benzene

CAS Registry Number®

16220-05-6
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CAS Name

(2-Isothiocyanatopropyl)benzene

Molecular Formula

C10H11NS

Molecular Mass

177.27

Cite this Page

(2-Isothiocyanatopropyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16220-05-6 (retrieved 2024-09-07) (CAS RN: 16220-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H11NS/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3

InChIKey

InChIKey=AFKRLUUCCIMVQP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, (2-isothiocyanatopropyl)-
  • Isothiocyanic acid, α-methylphenethyl ester
  • (2-Isothiocyanatopropyl)benzene
  • β-Phenylisopropylisothiocyanate
  • Amphetamine isothiocyanate

Deleted or Replaced CAS Registry Numbers

85549-02-6