1,4,7,10,13,16-Hexathiacyclooctadecane

• CAS: 296-41-3
• Catalog Number: ACM296413
• Category: Organic Phosphine Compounds
• Molecular Weight: 360.71
• Molecular Formula: C₁₂H₂₄S₆
• Synonyms: hexathia-18-crown-6; 18-Ane-S6; 1,4,7,10,13,16-hexathia-cyclooctadecane; 18-Ethano-S6; 1,4,7,10,13,16-hexathiacyclooctadecan; 1,4,7,10,13,16-hexathiacyclohexadecane
• IUPAC Name: 1,4,7,10,13,16-hexathiacyclooctadecane
• Canonical SMILES: C1CSCCSCCSCCSCCSCCS1
• InChI Key: HELCSRZMDRYPIJ-UHFFFAOYSA-N
• Boiling Point: 547.2ºC at 760 mmHg
• Melting Point: 92-94ºC(lit.)
• Flash Point: 296.9ºC
• Density: 1.14 g/cm³
• Exact Mass: 360.02000
• Hazard Statements: Xi: Irritant
• Safety Description: 26-37/39

Custom Q&A

What is the molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane is C12H24S6.

When was 1,4,7,10,13,16-Hexathiacyclooctadecane created and modified in PubChem?

1,4,7,10,13,16-Hexathiacyclooctadecane was created on 2005-03-26 and modified on 2023-11-25.

What is the InChIkey of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The InChIkey of 1,4,7,10,13,16-Hexathiacyclooctadecane is HELCSRZMDRYPIJ-UHFFFAOYSA-N.

What is the molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane is 360.7 g/mol.

What is the XLogP3-AA value of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The XLogP3-AA value of 1,4,7,10,13,16-Hexathiacyclooctadecane is 3.9.

How many hydrogen bond acceptor counts does 1,4,7,10,13,16-Hexathiacyclooctadecane have?

1,4,7,10,13,16-Hexathiacyclooctadecane has 6 hydrogen bond acceptor counts.

What is the exact mass of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The exact mass of 1,4,7,10,13,16-Hexathiacyclooctadecane is 360.02022781 g/mol.

How many heavy atoms are present in 1,4,7,10,13,16-Hexathiacyclooctadecane?

There are 18 heavy atoms present in 1,4,7,10,13,16-Hexathiacyclooctadecane.

Is 1,4,7,10,13,16-Hexathiacyclooctadecane a canonicalized compound?

Yes, 1,4,7,10,13,16-Hexathiacyclooctadecane is a canonicalized compound.

What is the complexity value of 1,4,7,10,13,16-Hexathiacyclooctadecane?

The complexity value of 1,4,7,10,13,16-Hexathiacyclooctadecane is 108.