Hexothiocaine

Base Information

• Chemical Name: Hexothiocaine
• CAS No.: 13957-60-3
• Molecular Formula: C19H32N2O2S
• Molecular Weight: 352.5346
• UNII: BOU1Z279HS
• DSSTox Substance ID: DTXSID80161108
• Nikkaji Number: J154.154D
• Wikidata: Q27274777
• Mol file: 13957-60-3.mol

Synonyms:hexothiocaine

Chemical Property of Hexothiocaine

Chemical Property:

• Vapor Pressure: 3.73E-09mmHg at 25°C
• Boiling Point: 474.1°C at 760 mmHg
• Flash Point: 240.5°C
• Density: 1.056g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 352.21844944
• Heavy Atom Count: 24
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=C(C=CC(=C1)N)C(=S)OCCN(CC)CC

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