6-methylsulfanylpyrimidine-4-carboxylic Acid

Base Information

• Chemical Name: 6-methylsulfanylpyrimidine-4-carboxylic Acid
• CAS No.: 301342-78-9
• Molecular Formula: C6H6 N2 O2 S
• Molecular Weight: 170.19
• DSSTox Substance ID: DTXSID40392193
• Wikidata: Q82190200
• Mol file: 301342-78-9.mol

Synonyms:301342-78-9;6-methylsulfanylpyrimidine-4-carboxylic Acid;6-(methylthio)pyrimidine-4-carboxylic acid;6-(methylsulfanyl)pyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylicacid, 6-(methylthio)-;SCHEMBL7824301;DTXSID40392193;6-(methylthio)pyrimidine-4-carboxylicacid;4-pyrimidinecarboxylic acid,6-(methylthio)-;CS-0250471;EN300-5102086;Z1255487883

Chemical Property of 6-methylsulfanylpyrimidine-4-carboxylic Acid

Chemical Property:

• PSA: 88.38000
• LogP: 0.89670
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

4-PYRIMIDINECARBOXYLIC ACID, 6-(METHYLTHIO)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=NC(=C1)C(=O)O