Benzoic acid, 2-isothiocyanato-, methyl ester

CAS Registry Number®

16024-82-1

CAS Name

Benzoic acid, 2-isothiocyanato-, methyl ester

Molecular Formula

C9H7NO2S

Molecular Mass

193.22

Cite this Page

Benzoic acid, 2-isothiocyanato-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16024-82-1 (retrieved 2024-11-22) (CAS RN: 16024-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100-102 °C @ Press: 0.35 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3

InChIKey

InChIKey=UNXVHBOJSCWVCD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C=1C=CC=CC1N=C=S

Other Names for this Substance

  • Benzoic acid, 2-isothiocyanato-, methyl ester
  • Benzoic acid, o-isothiocyanato-, methyl ester
  • Methyl 2-isothiocyanatobenzoate
  • 2-(Methoxycarbonyl)phenyl isothiocyanate
  • 2-Isothiocyanato-benzoic acid methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration