Methyl 4-[(aminothioxomethyl)amino]benzoate

CAS Registry Number®

71680-93-8
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CAS Name

Methyl 4-[(aminothioxomethyl)amino]benzoate

Molecular Formula

C9H10N2O2S

Molecular Mass

210.25

Cite this Page

Methyl 4-[(aminothioxomethyl)amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71680-93-8 (retrieved 2024-09-17) (CAS RN: 71680-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H10N2O2S/c1-13-8(12)6-2-4-7(5-3-6)11-9(10)14/h2-5H,1H3,(H3,10,11,14)

InChIKey

InChIKey=GAHXSPNZIVGQMX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-[(aminothioxomethyl)amino]-, methyl ester
  • Methyl 4-[(aminothioxomethyl)amino]benzoate