1,4,7-Trithiacyclononane

• Catalog Number: ACM6573111
• Product Name: 1,4,7-Trithiacyclononane
• CAS: 6573-11-1
• Category: Heterocyclic Organic Compound
• Synonyms: 1,4,7-TRITHIACYCLONONANE;TRIETHYLENE TRISULFIDE;[9]aneS3;Hexahydro-1,4,7-trithionin;1,4,7-Trithiacyclononane,Triethylene trisulfide;1,4,7-Trithiacyclononane 97%
• IUPAC Name: 1,4,7-trithionane
• Molecular Weight: 180.4g/mol
• Molecular Formula: C6H12S3
• Canonical SMILES: C1CSCCSCCS1
• InChI: InChI=1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
• InChI Key: PQNPKQVPJAHPSB-UHFFFAOYSA-N
• Melting Point: 78-81°C(lit.)
• Complexity: 45.1
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.010114g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 180.010114g/mol
• NSC Number: 650798
• Rotatable Bond Count: 0
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 1.9

Custom Q&A

What is the molecular formula of 1,4,7-Trithiacyclononane?

The molecular formula of 1,4,7-Trithiacyclononane is C6H12S3.

What are some synonyms for 1,4,7-Trithiacyclononane?

Some synonyms for 1,4,7-Trithiacyclononane are 1,4,7-Trithionane and 6573-11-1.

What is the molecular weight of 1,4,7-Trithiacyclononane?

The molecular weight of 1,4,7-Trithiacyclononane is 180.4 g/mol.

What is the InChIKey of 1,4,7-Trithiacyclononane?

The InChIKey of 1,4,7-Trithiacyclononane is PQNPKQVPJAHPSB-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 1,4,7-Trithiacyclononane have?

1,4,7-Trithiacyclononane has 3 hydrogen bond acceptor counts.

What is the exact mass of 1,4,7-Trithiacyclononane?

The exact mass of 1,4,7-Trithiacyclononane is 180.01011390 g/mol.

What is the topological polar surface area of 1,4,7-Trithiacyclononane?

The topological polar surface area of 1,4,7-Trithiacyclononane is 75.9 Å2.

How many heavy atoms are present in 1,4,7-Trithiacyclononane?

There are 9 heavy atoms present in 1,4,7-Trithiacyclononane.

Does 1,4,7-Trithiacyclononane have any defined atom stereo center counts?

No, 1,4,7-Trithiacyclononane does not have any defined atom stereo center counts.

What is the complexity value of 1,4,7-Trithiacyclononane?

The complexity value of 1,4,7-Trithiacyclononane is 45.1.