1-Methyl-5-(methylsulfanyl)-1H-pyrrole-2-carbonyl chloride

Base Information

• Chemical Name: 1-Methyl-5-(methylsulfanyl)-1H-pyrrole-2-carbonyl chloride
• CAS No.: 86187-04-4
• Molecular Formula: C7H8ClNOS
• Molecular Weight: 189.66300
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30540388
• Wikidata: Q82416392
• Mol file: 86187-04-4.mol

Synonyms:86187-04-4;DTXSID30540388;1-Methyl-5-(methylsulfanyl)-1H-pyrrole-2-carbonyl chloride

Chemical Property of 1-Methyl-5-(methylsulfanyl)-1H-pyrrole-2-carbonyl chloride

Chemical Property:

• Boiling Point: 289.1±25.0 °C(Predicted)
• PKA: -9.11±0.70(Predicted)
• PSA: 47.30000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 2.12600
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.0015127
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=C1SC)C(=O)Cl