2-(4,5-Dichloro-1H-imidazol-1-yl)ethanethioamide

Base Information

• Chemical Name: 2-(4,5-Dichloro-1H-imidazol-1-yl)ethanethioamide
• CAS No.: 175201-50-0
• Molecular Formula: C5H5 Cl2 N3 S
• Molecular Weight: 210.08
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID20380972
• Wikidata: Q82171492
• Mol file: 175201-50-0.mol

Synonyms:2-(4,5-Dichloro-1H-imidazol-1-yl)ethanethioamide;175201-50-0;2-(4,5-dichloroimidazol-1-yl)ethanethioamide;(4,5-Dichloroimidazol-1-yl)thioacetamide;DTXSID20380972;MFCD00084996;AKOS015908857;PS-4382;CS-0316407;FT-0608572;1H-Imidazole-1-ethanethioamide,4,5-dichloro-;2-(4,5-Dichloro-1H-imidazol-1-yl)thioacetamide;W-206134;JOJ

Chemical Property of 2-(4,5-Dichloro-1H-imidazol-1-yl)ethanethioamide

Chemical Property:

• Vapor Pressure: 2.39E-07mmHg at 25°C
• Melting Point: 204-207°C
• Boiling Point: 422.5°Cat760mmHg
• Flash Point: 209.3°C
• PSA: 75.93000
• Density: 1.69g/cm³
• LogP: 2.17630
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.9581237
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

98%Min ^*data from raw suppliers

2-(4,5-Dichloro-1H-imidazol-1-yl)ethanethioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(N1CC(=S)N)Cl)Cl