1-Methyl-5-mercaptopyrazole

Base Information

• Chemical Name: 1-Methyl-5-mercaptopyrazole
• CAS No.: 87110-37-0
• Molecular Formula: C4H6N2S
• Molecular Weight: 114.1688
• DSSTox Substance ID: DTXSID901007343
• Nikkaji Number: J1.083.821E,J1.083.825H
• Wikidata: Q83003318
• Mol file: 87110-37-0.mol

Synonyms:1-Methyl-5-mercaptopyrazole;1-Methyl-1H-pyrazole-5-thiol;87110-37-0;2-Methyl-1,2-dihydro-3H-pyrazole-3-thione;190711-06-9;starbld0009856;SCHEMBL8404558;DTXSID901007343;1-Methyl-1H-pyrazole-5(2H)-thione;EN300-108801

Chemical Property of 1-Methyl-5-mercaptopyrazole

Chemical Property:

• Vapor Pressure: 3.13mmHg at 25°C
• Boiling Point: 154.8°C at 760 mmHg
• PKA: 4.19±0.70(Predicted)
• Flash Point: 47.4°C
• PSA: 52.81000
• Density: 1.28g/cm³
• LogP: 1.08270
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.02516937
• Heavy Atom Count: 7
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=S)C=CN1