Gerrardine

Base Information

• Chemical Name: Gerrardine
• CAS No.: 14022-19-6
• Molecular Formula: C11H19 N O2 S4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90930741
• Wikidata: Q27106724
• Metabolomics Workbench ID: 69387
• ChEMBL ID: CHEMBL521150
• Mol file: 14022-19-6.mol

Synonyms:bis-1,2-dithioalanylpyrrolidine;gerrardine

Chemical Property of Gerrardine

Chemical Property:

• Vapor Pressure: 2.28E-13mmHg at 25°C
• Boiling Point: 528.3°Cat760mmHg
• Flash Point: 273.3°C
• PSA: 144.90000
• Density: 1.504g/cm³
• LogP: 1.63610
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 325.02986354
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(CCC1C2C(CSS2)O)C3C(CSS3)O
• Isomeric SMILES: CN1[C@H](CC[C@@H]1[C@H]2[C@H](CSS2)O)[C@H]3[C@H](CSS3)O

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