3,4,5-Trimethoxybenzoyl isothiocyanate

CAS Registry Number®

6939-63-5

CAS Name

3,4,5-Trimethoxybenzoyl isothiocyanate

Molecular Formula

C11H11NO4S

Molecular Mass

253.27

Cite this Page

3,4,5-Trimethoxybenzoyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6939-63-5 (retrieved 2024-11-22) (CAS RN: 6939-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11NO4S/c1-14-8-4-7(11(13)12-6-17)5-9(15-2)10(8)16-3/h4-5H,1-3H3

InChIKey

InChIKey=SRJJUWPSSFADES-UHFFFAOYSA-N

SMILES

O(C)C1=C(OC)C=C(C(N=C=S)=O)C=C1OC

Canonical SMILES

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

Other Names for this Substance

  • Benzoyl isothiocyanate, 3,4,5-trimethoxy-
  • Benzoic acid, 3,4,5-trimethoxy-, anhydride with isothiocyanic acid
  • 3,4,5-Trimethoxybenzoyl isothiocyanate
  • NSC 57734
  • 3,4,5-Trimethoxybenzoyl isothiocyante

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