1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane

S12 — CID 139047420

IUPAC1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane
SMILESS1SSSSSSSSSSS1
InChIInChI=1S/S12/c1-2-4-6-8-10-12-11-9-7-5-3-1
InChIKeyIAUIBUKHEYJXMS-UHFFFAOYSA-N
MW384.80 g/mol
LogP7.78
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane

1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane (PubChem CID 139047420) has the molecular formula S12 and a molecular weight of 384.80 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane
PubChem CID139047420
Molecular FormulaS12
Molecular Weight384.80 g/mol
Exact Mass383.66
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane
SMILESS1SSSSSSSSSSS1
InChIInChI=1S/S12/c1-2-4-6-8-10-12-11-9-7-5-3-1
InChIKeyIAUIBUKHEYJXMS-UHFFFAOYSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500384.80
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane (CID 139047420) is 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane is S1SSSSSSSSSSS1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane?
The InChIKey is IAUIBUKHEYJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/S12/c1-2-4-6-8-10-12-11-9-7-5-3-1.
What are the key properties of 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane?
1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane has a molecular weight of 384.80 g/mol, XLogP of 7.78, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10,11,12-dodecathiacyclododecane is sourced from PubChem (CID 139047420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).