4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-

Base Information

• Chemical Name: 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-
• CAS No.: 149486-83-9
• Molecular Formula: C13H13 N3 O2 S2
• Molecular Weight: 307.3912
• DSSTox Substance ID: DTXSID50164308
• ChEMBL ID: CHEMBL423020
• Mol file: 149486-83-9.mol

Synonyms:149486-83-9;4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-;4-Thiazolecarboxylic acid, 2-[[[(2-phenylethyl)amino]thioxomethyl]amino]-;PETT COOH deriv.;BDBM1877;CHEMBL423020;SCHEMBL6950085;DTXSID50164308;2-(phenethylcarbamothioylamino)thiazole-4-carboxylic acid;N-(2-Phenethyl)-N -(2-(4-carboxythiazolyl))thiourea;2-{[(2-phenylethyl)carbamothioyl]amino}-1,3-thiazole-4-carboxylic acid

Chemical Property of 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Boiling Point: 517.7°Cat760mmHg
• Flash Point: 266.9°C
• Density: 1.452g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 307.04491901
• Heavy Atom Count: 20
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=NC(=CS2)C(=O)O