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

C17H34S6 — CID 87474346

IUPAC1,2,3,4,5,6-hexathiacyclotricosane
SMILESC1CCCCCCCCSSSSSSCCCCCCCC1
InChIInChI=1S/C17H34S6/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-17H2
InChIKeyVIUQALKUITVTDP-UHFFFAOYSA-N
MW430.86 g/mol
LogP9.83
Rot. Bonds

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

1,2,3,4,5,6-hexathiacyclotricosane (PubChem CID 87474346) has the molecular formula C17H34S6 and a molecular weight of 430.86 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexathiacyclotricosane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexathiacyclotricosane
PubChem CID87474346
Molecular FormulaC17H34S6
Molecular Weight430.86 g/mol
Exact Mass430.10
IUPAC Name1,2,3,4,5,6-hexathiacyclotricosane
SMILESC1CCCCCCCCSSSSSSCCCCCCCC1
InChIInChI=1S/C17H34S6/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-17H2
InChIKeyVIUQALKUITVTDP-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.86
LogP ≤ 59.83
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

1,2,3,4,5,6,7,8-octathiacyclohenicosane
CID 87476798
1,2,3,4,5,6,7,8,9-nonathiacycloheptacosane
CID 87474964
1,2,3,4,5,6-hexathiacyclohexadecane
CID 87477797
tetrathiepane
CID 529755
tetrathiane
CID 593529
(17E)-1,2,3,4,5,6-hexathiacyclooctadeca-13,15,17-triene
CID 173088587
dithiane;ethane
CID 87555342
thiane
CID 70180368
thiacyclotridecane
CID 12543972
thiacyclononacosane
CID 68502335
dithiepane;bis((methyldisulfanyl)methane);propane
CID 157061520
thiane;thietane;thiirane;thiolane
CID 161072943

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexathiacyclotricosane?
The IUPAC name of 1,2,3,4,5,6-hexathiacyclotricosane (CID 87474346) is 1,2,3,4,5,6-hexathiacyclotricosane.
What is the SMILES notation for 1,2,3,4,5,6-hexathiacyclotricosane?
The canonical SMILES for 1,2,3,4,5,6-hexathiacyclotricosane is C1CCCCCCCCSSSSSSCCCCCCCC1.
What is the InChIKey of 1,2,3,4,5,6-hexathiacyclotricosane?
The InChIKey is VIUQALKUITVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34S6/c1-2-4-6-8-10-12-14-16-18-20-22-23-21-19-17-15-13-11-9-7-5-3-1/h1-17H2.
What are the key properties of 1,2,3,4,5,6-hexathiacyclotricosane?
1,2,3,4,5,6-hexathiacyclotricosane has a molecular weight of 430.86 g/mol, XLogP of 9.83, 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-hexathiacyclotricosane is sourced from PubChem (CID 87474346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).