Hapalindole D

Base Information

• Chemical Name: Hapalindole D
• CAS No.: 101968-72-3
• Molecular Formula: C21H24 N2 S
• Molecular Weight: 336.49
• DSSTox Substance ID: DTXSID701046117
• Metabolomics Workbench ID: 116647
• Nikkaji Number: J147.294A
• Wikidata: Q105212908
• Mol file: 101968-72-3.mol

Synonyms:Hapalindole D;101968-72-3;3-[(1S,2R,3R,6S)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole;(+)-3-[(1S)-3beta-Ethenyl-2beta-isothiocyanato-3-methyl-6alpha-(1-methylethenyl)cyclohexane-1beta-yl]-1H-indole;MLS004797564;CHEBI:180982;DTXSID701046117;SMR003519689

Chemical Property of Hapalindole D

Chemical Property:

• PSA: 60.24000
• LogP: 5.90130
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 336.16601995
• Heavy Atom Count: 24
• Complexity: 550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC(C(C1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C
• Isomeric SMILES: CC(=C)[C@H]1CC[C@]([C@@H]([C@@H]1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C

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