2-(2-sulfanylethyldisulfanyl)ethanethiol

C4H10S4 — CID 548359

IUPAC2-(2-sulfanylethyldisulfanyl)ethanethiol
SMILESSCCSSCCS
InChIInChI=1S/C4H10S4/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
InChIKeySPAAESPYCDSRIW-UHFFFAOYSA-N
MW186.39 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-sulfanylethyldisulfanyl)ethanethiol

2-(2-sulfanylethyldisulfanyl)ethanethiol (PubChem CID 548359) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is 2-(2-sulfanylethyldisulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-sulfanylethyldisulfanyl)ethanethiol
PubChem CID548359
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Name2-(2-sulfanylethyldisulfanyl)ethanethiol
SMILESSCCSSCCS
InChIInChI=1S/C4H10S4/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
InChIKeySPAAESPYCDSRIW-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyldisulfanyl)ethanethiol?
The IUPAC name of 2-(2-sulfanylethyldisulfanyl)ethanethiol (CID 548359) is 2-(2-sulfanylethyldisulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-sulfanylethyldisulfanyl)ethanethiol?
The canonical SMILES for 2-(2-sulfanylethyldisulfanyl)ethanethiol is SCCSSCCS.
What is the InChIKey of 2-(2-sulfanylethyldisulfanyl)ethanethiol?
The InChIKey is SPAAESPYCDSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c5-1-3-7-8-4-2-6/h5-6H,1-4H2.
What are the key properties of 2-(2-sulfanylethyldisulfanyl)ethanethiol?
2-(2-sulfanylethyldisulfanyl)ethanethiol has a molecular weight of 186.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethyldisulfanyl)ethanethiol is sourced from PubChem (CID 548359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).