1,2,6,10,11,15-hexathiacyclooctadecane

C12H24S6 — CID 12691715

IUPAC1,2,6,10,11,15-hexathiacyclooctadecane
SMILESC1CSCCCSSCCCSCCCSSC1
InChIInChI=1S/C12H24S6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16-15-9-1/h1-12H2
InChIKeyGUJSDBYWLAQUAU-UHFFFAOYSA-N
MW360.73 g/mol
LogP5.79
Rot. Bonds

About 1,2,6,10,11,15-hexathiacyclooctadecane

1,2,6,10,11,15-hexathiacyclooctadecane (PubChem CID 12691715) has the molecular formula C12H24S6 and a molecular weight of 360.73 g/mol. Its IUPAC name is 1,2,6,10,11,15-hexathiacyclooctadecane.

Molecular Properties

Compound Name1,2,6,10,11,15-hexathiacyclooctadecane
PubChem CID12691715
Molecular FormulaC12H24S6
Molecular Weight360.73 g/mol
Exact Mass360.02
IUPAC Name1,2,6,10,11,15-hexathiacyclooctadecane
SMILESC1CSCCCSSCCCSCCCSSC1
InChIInChI=1S/C12H24S6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16-15-9-1/h1-12H2
InChIKeyGUJSDBYWLAQUAU-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,5-dithiocane
CID 5259509
1,4,8-trithiacyclotetradecane
CID 21459618
thiacyclotridecane
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thiane
CID 70180368
thiacyclononacosane
CID 68502335
gold;thiolane
CID 87289980
1,3,6,10-tetrathiacyclododecane
CID 14957852
tetrathiepane
CID 529755
CID 175695265
CID 175695265
1,3,7,9-tetrathiacyclododecane
CID 102316759
thiane;thietane;thiirane;thiolane
CID 161072943
azane;thiane
CID 175911384

Frequently Asked Questions

What is the IUPAC name of 1,2,6,10,11,15-hexathiacyclooctadecane?
The IUPAC name of 1,2,6,10,11,15-hexathiacyclooctadecane (CID 12691715) is 1,2,6,10,11,15-hexathiacyclooctadecane.
What is the SMILES notation for 1,2,6,10,11,15-hexathiacyclooctadecane?
The canonical SMILES for 1,2,6,10,11,15-hexathiacyclooctadecane is C1CSCCCSSCCCSCCCSSC1.
What is the InChIKey of 1,2,6,10,11,15-hexathiacyclooctadecane?
The InChIKey is GUJSDBYWLAQUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S6/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16-15-9-1/h1-12H2.
What are the key properties of 1,2,6,10,11,15-hexathiacyclooctadecane?
1,2,6,10,11,15-hexathiacyclooctadecane has a molecular weight of 360.73 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,10,11,15-hexathiacyclooctadecane is sourced from PubChem (CID 12691715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).