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

C8H14S6 — CID 18541670

IUPAC2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
SMILESC(CSSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S6/c1(11-13-5-7-3-9-7)2-12-14-6-8-4-10-8/h7-8H,1-6H2
InChIKeyHXMMTJSFEHPQHU-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.98
Rot. Bonds9

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

2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane (PubChem CID 18541670) has the molecular formula C8H14S6 and a molecular weight of 302.60 g/mol. Its IUPAC name is 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
PubChem CID18541670
Molecular FormulaC8H14S6
Molecular Weight302.60 g/mol
Exact Mass301.94
IUPAC Name2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane
SMILESC(CSSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S6/c1(11-13-5-7-3-9-7)2-12-14-6-8-4-10-8/h7-8H,1-6H2
InChIKeyHXMMTJSFEHPQHU-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The IUPAC name of 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane (CID 18541670) is 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane.
What is the SMILES notation for 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The canonical SMILES for 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane is C(CSSCC1CS1)SSCC1CS1.
What is the InChIKey of 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
The InChIKey is HXMMTJSFEHPQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S6/c1(11-13-5-7-3-9-7)2-12-14-6-8-4-10-8/h7-8H,1-6H2.
What are the key properties of 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane?
2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane has a molecular weight of 302.60 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(thiiran-2-ylmethyldisulfanyl)ethyldisulfanyl]methyl]thiirane is sourced from PubChem (CID 18541670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).