1,2,3,4,5,6-hexathiacyclohexadecane

C10H20S6 — CID 87477797

IUPAC1,2,3,4,5,6-hexathiacyclohexadecane
SMILESC1CCCCCSSSSSSCCCC1
InChIInChI=1S/C10H20S6/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-10H2
InChIKeyVLLLLGUMLKKBGL-UHFFFAOYSA-N
MW332.67 g/mol
LogP7.09
Rot. Bonds

About 1,2,3,4,5,6-hexathiacyclohexadecane

1,2,3,4,5,6-hexathiacyclohexadecane (PubChem CID 87477797) has the molecular formula C10H20S6 and a molecular weight of 332.67 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexathiacyclohexadecane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexathiacyclohexadecane
PubChem CID87477797
Molecular FormulaC10H20S6
Molecular Weight332.67 g/mol
Exact Mass331.99
IUPAC Name1,2,3,4,5,6-hexathiacyclohexadecane
SMILESC1CCCCCSSSSSSCCCC1
InChIInChI=1S/C10H20S6/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-10H2
InChIKeyVLLLLGUMLKKBGL-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.67
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexathiacyclohexadecane?
The IUPAC name of 1,2,3,4,5,6-hexathiacyclohexadecane (CID 87477797) is 1,2,3,4,5,6-hexathiacyclohexadecane.
What is the SMILES notation for 1,2,3,4,5,6-hexathiacyclohexadecane?
The canonical SMILES for 1,2,3,4,5,6-hexathiacyclohexadecane is C1CCCCCSSSSSSCCCC1.
What is the InChIKey of 1,2,3,4,5,6-hexathiacyclohexadecane?
The InChIKey is VLLLLGUMLKKBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S6/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-10H2.
What are the key properties of 1,2,3,4,5,6-hexathiacyclohexadecane?
1,2,3,4,5,6-hexathiacyclohexadecane has a molecular weight of 332.67 g/mol, XLogP of 7.09, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexathiacyclohexadecane is sourced from PubChem (CID 87477797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).