Thiarubrine B

Base Information

• Chemical Name: Thiarubrine B
• CAS No.: 71539-72-5
• Molecular Formula: C13H8S2
• Molecular Weight: 228.3326
• UNII: 69062K06O1
• DSSTox Substance ID: DTXSID00221773
• Nikkaji Number: J489.432D
• Wikidata: Q27108432
• Metabolomics Workbench ID: 68847

Synonyms:Thiarubrine B;Thiarubrin B;Thiarubrine B [MI];71539-72-5;UNII-69062K06O1;O-dithiin, 3-(3-buten-1-ynyl)-6-(1,3-pentadiynyl)-;3-(3,5-Hexadien-1-ynyl)-6-(1-propynyl)-1,2-dithiin;1,2-Dithiin, 3-(3-buten-1-ynyl)-6-(1,3-pentadiynyl)-;69062K06O1;C08462;3-but-3-en-1-ynyl-6-penta-1,3-diynyldithiine;AC1L9BAS;CHEBI:9539;SCHEMBL1652904;DTXSID00221773;3-but-3-en-1-ynyl-6-penta-1,3-diynyl-dithiine;Q27108432;3-(3-Buten-1-ynyl)-6-(1,3-pentadiynyl)-1,2-dithiin;3-(3-butene-1-ynyl)-6-(1,3-pentadiynyl)-1,2-dithiin

Chemical Property of Thiarubrine B

Chemical Property:

• Vapor Pressure: 0.000523mmHg at 25°C
• Boiling Point: 322.5°Cat760mmHg
• Flash Point: 178.1°C
• Density: 1.24g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.00674260
• Heavy Atom Count: 15
• Complexity: 521

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CC#CC1=CC=C(SS1)C#CC=C

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