1-Thia-4,7,10-triazacyclododecane

Base Information

• Chemical Name: 1-Thia-4,7,10-triazacyclododecane
• CAS No.: 87071-53-2
• Molecular Formula: C8H19N3S
• Molecular Weight: 189.32200
• DSSTox Substance ID: DTXSID20572673
• Nikkaji Number: J1.232.448K
• Wikidata: Q82461097

Synonyms:1-Thia-4,7,10-triazacyclododecane;Thiacyclen;87071-53-2;SCHEMBL8935918;DTXSID20572673;LENXZIOCBAXOMJ-UHFFFAOYSA-N

Chemical Property of 1-Thia-4,7,10-triazacyclododecane

Chemical Property:

• PSA: 61.39000
• LogP: 0.48840
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.12996879
• Heavy Atom Count: 12
• Complexity: 90.3

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCSCCNCCN1

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