CAS 1223-21-8

3-[[(Phenylamino)thioxomethyl]amino]benzoic acid

Description:

3-[[(Phenylamino)thioxomethyl]amino]benzoic acid, with the CAS number 1223-21-8, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety and a thioxomethyl group linked to a phenylamino substituent. This compound typically exhibits properties associated with both acidic and amine functionalities, allowing it to participate in various chemical reactions, such as nucleophilic substitutions and acid-base interactions. The presence of the thioxomethyl group introduces unique reactivity due to the sulfur atom, which can influence the compound's stability and reactivity. In terms of solubility, compounds of this nature may show varying degrees of solubility in polar and non-polar solvents, depending on the balance of hydrophilic and hydrophobic groups. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Its specific applications and behavior in biological systems would depend on further studies, including its interaction with biological targets and its pharmacokinetic properties.

Formula: C₁₄H₁₂N₂O₂S

InChI: InChI=1S/C14H12N2O2S/c17-13(18)10-5-4-8-12(9-10)16-14(19)15-11-6-2-1-3-7-11/h1-9H,(H,17,18)(H2,15,16,19)

InChI key: InChIKey=ALYXWVGLKMCPLO-UHFFFAOYSA-N

SMILES: N(C(NC1=CC=CC=C1)=S)C2=CC(C(O)=O)=CC=C2

Synonyms:

• 3-[[(Phenylamino)thioxomethyl]amino]benzoic acid
• Benzoic acid, m-(3-phenyl-2-thioureido)-
• N-Phenyl-N′-m-carboxyphenylthiourea
• Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-
• m-Phenylthioureidobenzoic acid

Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-

CAS: 1223-21-8

Formula: C₁₄H₁₂N₂O₂S

Molecular weight: 272.3223

Ref: IN-DA00172S