2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane

C8H14S6 — CID 22388724

IUPAC2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
SMILESCC(SSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S6/c1-6(13-11-4-7-2-9-7)14-12-5-8-3-10-8/h6-8H,2-5H2,1H3
InChIKeyRAQAJMIUWDXMLC-UHFFFAOYSA-N
MW302.60 g/mol
LogP4.33
Rot. Bonds8

About 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane

2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane (PubChem CID 22388724) has the molecular formula C8H14S6 and a molecular weight of 302.60 g/mol. Its IUPAC name is 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
PubChem CID22388724
Molecular FormulaC8H14S6
Molecular Weight302.60 g/mol
Exact Mass301.94
IUPAC Name2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
SMILESCC(SSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S6/c1-6(13-11-4-7-2-9-7)14-12-5-8-3-10-8/h6-8H,2-5H2,1H3
InChIKeyRAQAJMIUWDXMLC-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The IUPAC name of 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane (CID 22388724) is 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane.
What is the SMILES notation for 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The canonical SMILES for 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane is CC(SSCC1CS1)SSCC1CS1.
What is the InChIKey of 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The InChIKey is RAQAJMIUWDXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S6/c1-6(13-11-4-7-2-9-7)14-12-5-8-3-10-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane has a molecular weight of 302.60 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane is sourced from PubChem (CID 22388724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).