Tropantiol

Base Information

• Chemical Name: Tropantiol
• CAS No.: 189950-11-6
• Molecular Formula: C21H34ClN3S2
• Molecular Weight: 428.10
• UNII: 7844H41L5Z
• Nikkaji Number: J921.502F
• Wikidata: Q27266635
• NCI Thesaurus Code: C76601
• ChEMBL ID: CHEMBL3989477
• Mol file: 189950-11-6.mol

Synonyms:Tropantiol;189950-11-6;Tropantiol [USAN:INN];NC100697;UNII-7844H41L5Z;7844H41L5Z;NC-100697;2-[2-[[(1R,2R,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol;TRODAT-1;TROPANTIOL [INN];TROPANTIOL [USAN];CHEMBL3989477;AKOS040754270;Q27266635

Chemical Property of Tropantiol

Chemical Property:

• Appearance/Colour: Colourless oil
• Boiling Point: 534.622 °C at 760 mmHg
• Flash Point: 277.129 °C
• PSA: 96.11000
• Density: 1.143 g/cm³
• LogP: 3.98630
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 427.1882681
• Heavy Atom Count: 27
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)Cl)CN(CCNCCS)CCS
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)CN(CCNCCS)CCS

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