3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid

Base Information

• Chemical Name: 3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid
• CAS No.: 436811-29-9
• Molecular Formula: C11H9N2O3S-
• Molecular Weight: 250.27
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20360991
• ChEMBL ID: CHEMBL3211583
• Mol file: 436811-29-9.mol

Synonyms:436811-29-9;3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid;3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid;3-((3-Methyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid;1478918-28-3;3-{[(2Z)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid;MLS001209526;CHEMBL3211583;DTXSID20360991;HMS1673B20;HMS2824N24;STK201327;3-{[(2E)-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid;AKOS000291607;AKOS000323412;SMR000518883;CS-0116505;FT-0676715;SR-01000357794;SR-01000357794-1;3-((3-Methyl-4-oxothiazolidin-2-ylidene)amino)benzoicacid;3-[3-methyl-4-oxo-thiazolidin-(2e)-ylideneamino]-benzoic acid;3-(3-methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid, AldrichCPR

Chemical Property of 3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid

Chemical Property:

• Vapor Pressure: 3.93E-09mmHg at 25°C
• Boiling Point: 456.7°C at 760 mmHg
• Flash Point: 230°C
• PSA: 95.27000
• LogP: 1.51540
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.04121336
• Heavy Atom Count: 17
• Complexity: 370

Purity/Quality:

99%min ^*data from raw suppliers

3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CSC1=NC2=CC=CC(=C2)C(=O)O