(3-Methylphenyl)methyl thiocyanate

CAS Registry Number®

37141-50-7

CAS Name

(3-Methylphenyl)methyl thiocyanate

Molecular Formula

C9H9NS

Molecular Mass

163.24

Cite this Page

(3-Methylphenyl)methyl thiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37141-50-7 (retrieved 2024-11-21) (CAS RN: 37141-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    148-150 °C @ Press: 14 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9NS/c1-8-3-2-4-9(5-8)6-11-7-10/h2-5H,6H2,1H3

InChIKey

InChIKey=NSGWUGKMTAEVPQ-UHFFFAOYSA-N

SMILES

C(SC#N)C1=CC(C)=CC=C1

Canonical SMILES

N#CSCC=1C=CC=C(C1)C

Other Names for this Substance

  • Thiocyanic acid, (3-methylphenyl)methyl ester
  • (3-Methylphenyl)methyl thiocyanate
  • 3-Methylbenzyl thiocyanate
  • NSC 96974