3-Chloro-5-mercapto-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester

Base Information

• Chemical Name: 3-Chloro-5-mercapto-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
• CAS No.: 109056-72-6
• Molecular Formula: C₆H₇ClN₂O₂S
• Molecular Weight: 206.653
• DSSTox Substance ID: DTXSID201179999
• Nikkaji Number: J1.632.301B
• Mol file: 109056-72-6.mol

Synonyms:109056-72-6;DTXSID201179999;3-Chloro-5-mercapto-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester;AKOS015909022;Methyl 3-chloro-5-mercapto-1-methyl-1H-pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylicacid,3-chloro-5-mercapto-1-methyl-,methyl ester

Chemical Property of 3-Chloro-5-mercapto-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 205.9916763
• Heavy Atom Count: 12
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=S)C(=C(N1)Cl)C(=O)OC