1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene

C6H6S6 — CID 68501149

IUPAC1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene
SMILESc1cccsssssscc1
InChIInChI=1S/C6H6S6/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H/b2-1-,5-3+,6-4+
InChIKeyYKHYPIHFJJIAPY-IAFSNKLZSA-N
MW270.52 g/mol
LogP5.43
Rot. Bonds

About 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene

1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene (PubChem CID 68501149) has the molecular formula C6H6S6 and a molecular weight of 270.52 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene
PubChem CID68501149
Molecular FormulaC6H6S6
Molecular Weight270.52 g/mol
Exact Mass269.88
IUPAC Name1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene
SMILESc1cccsssssscc1
InChIInChI=1S/C6H6S6/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H/b2-1-,5-3+,6-4+
InChIKeyYKHYPIHFJJIAPY-IAFSNKLZSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene?
The IUPAC name of 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene (CID 68501149) is 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene.
What is the SMILES notation for 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene?
The canonical SMILES for 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene is c1cccsssssscc1.
What is the InChIKey of 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene?
The InChIKey is YKHYPIHFJJIAPY-IAFSNKLZSA-N. The full InChI is InChI=1S/C6H6S6/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H/b2-1-,5-3+,6-4+.
What are the key properties of 1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene?
1,2,3,4,5,6-hexathiacyclododeca-7,9,11-triene has a molecular weight of 270.52 g/mol, XLogP of 5.43, 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-hexathiacyclododeca-7,9,11-triene is sourced from PubChem (CID 68501149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).