Methyl 4-[[(aminothioxomethyl)amino]methyl]benzoate

CAS Registry Number®

540737-38-0
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CAS Name

Methyl 4-[[(aminothioxomethyl)amino]methyl]benzoate

Molecular Formula

C10H12N2O2S

Molecular Mass

224.28

Cite this Page

Methyl 4-[[(aminothioxomethyl)amino]methyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=540737-38-0 (retrieved 2024-09-07) (CAS RN: 540737-38-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131-133 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12N2O2S/c1-14-9(13)8-4-2-7(3-5-8)6-12-10(11)15/h2-5H,6H2,1H3,(H3,11,12,15)

InChIKey

InChIKey=VMMOTGMKOGNJSQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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