Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-

Base Information

• Chemical Name: Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-
• CAS No.: 87998-77-4
• Molecular Formula: C17H16N2O4S
• Molecular Weight: 344.38500
• DSSTox Substance ID: DTXSID40359367
• Wikidata: Q82140554
• Mol file: 87998-77-4.mol

Synonyms:87998-77-4;Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-;DTXSID40359367;AKOS000109308

Chemical Property of Benzoic acid, 4-[[[[(2-methylphenoxy)acetyl]amino]thioxomethyl]amino]-

Chemical Property:

• PSA: 123.24000
• LogP: 3.49850
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 344.08307817
• Heavy Atom Count: 24
• Complexity: 464

Purity/Quality:

4-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O