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CAS 4357-96-4

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Carbamimidothioic acid, (4-nitrophenyl)methyl ester, hydrochloride (1:1)

Description:
Carbamimidothioic acid, (4-nitrophenyl)methyl ester, hydrochloride (1:1), with the CAS number 4357-96-4, is a chemical compound characterized by its unique functional groups and structural features. It contains a carbamimidothioic acid moiety, which is known for its thiol and amine functionalities, contributing to its reactivity and potential biological activity. The presence of the (4-nitrophenyl)methyl ester indicates that it has an aromatic ring with a nitro substituent, which can influence its electronic properties and solubility. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals and biochemical research. The compound may exhibit properties such as antimicrobial or enzyme-inhibitory activities, making it of interest in medicinal chemistry. However, specific safety and handling guidelines should be followed due to the potential toxicity associated with nitro compounds and thiols. Overall, this compound represents a versatile structure with implications in both synthetic and biological chemistry.
Formula:C8H10ClN3O2S
InChI:InChI=1/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)
InChI key:InChIKey=XLXMUFLBCRDKMJ-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC=C(CSC(=N)N)C=C1.Cl
Synonyms:
  • Carbamimidothioic Acid, (4-Nitrophenyl)Methyl Ester, Hydrochloride (1:1)
  • Carbamimidothioic acid, (4-nitrophenyl)methyl ester, monohydrochloride
  • Pseudourea, 2-(p-nitrobenzyl)-2-thio-, hydrochloride
  • [[(4-Nitrophenyl)methyl]sulfanyl]methanimidamide hydrochloride
  • carbamimidothioic acid, (4-nitrophenyl)methyl ester
  • 4-Nitrobenzyl carbamimidothioate hydrochloride (1:1)
  • AMINO[(4-NITROBENZYL)SULFANYL]METHANIMINIUM CHLORIDE
  • 2-(4-NITROBENZYL)-2-THIOPSEUDOUREA HYDROCHLORIDE
  • SUMATRIPTAN IMPURITY 6 HCL
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