Carbamimidothioic acid, 4-(1H-pyrazol-4-yl)butyl ester

Base Information

• Chemical Name: Carbamimidothioic acid, 4-(1H-pyrazol-4-yl)butyl ester
• CAS No.: 91918-09-1
• Molecular Formula: C8H14 N4 S
• Molecular Weight: 0
• Mol file: 91918-09-1.mol

Synonyms:(4-pyrazolyl)butylisothiourea;4-pyrazolylbutylisothiourea

Chemical Property of Carbamimidothioic acid, 4-(1H-pyrazol-4-yl)butyl ester

Chemical Property:

• Vapor Pressure: 5.05E-07mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 412.8°Cat760mmHg
• Flash Point: 203.4°C
• PSA: 103.85000
• Density: 1.31g/cm³
• LogP: 2.15910
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 198.09391764
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=NN1)CCCCSC(=N)N