3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide

Base Information

• Chemical Name: 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide
• CAS No.: 175203-73-3
• Molecular Formula: C11H11 N3 S2
• Molecular Weight: 249.35500
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20381343
• Nikkaji Number: J2.185.523E
• Wikidata: Q82172121
• Mol file: 175203-73-3.mol

Synonyms:175203-73-3;3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide;3-methylsulfanyl-1-phenylpyrazole-4-carbothioamide;1H-Pyrazole-4-carbothioamide, 3-(methylthio)-1-phenyl-;Maybridge1_004795;HMS555B21;DTXSID20381343;AKOS015908612;CCG-247383;FT-0613808;Fmoc-(R)-3-Amino-3-(3-pyridyl)-propionicacid;1-Phenyl-3-(methylthio)-1H-pyrazole-4-carbothioamide;3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbothioamide

Chemical Property of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide

Chemical Property:

• Vapor Pressure: 2.2E-07mmHg at 25°C
• Boiling Point: 423.6oC at 760 mmHg
• Flash Point: 210oC
• PSA: 101.23000
• Density: 1.33g/cm3
• LogP: 2.92870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.03943971
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

3-(METHYLTHIO)-1-PHENYL-1H-PYRAZOLE-4-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NN(C=C1C(=S)N)C2=CC=CC=C2