2-(disulfanyl)ethanedithioic acid

C2H4S4 — CID 22250987

IUPAC2-(disulfanyl)ethanedithioic acid
SMILESS=C(S)CSS
InChIInChI=1S/C2H4S4/c3-2(4)1-6-5/h5H,1H2,(H,3,4)
InChIKeyYRRHERDUKPBTCA-UHFFFAOYSA-N
MW156.32 g/mol
LogP1.82
Rot. Bonds2

About 2-(disulfanyl)ethanedithioic acid

2-(disulfanyl)ethanedithioic acid (PubChem CID 22250987) has the molecular formula C2H4S4 and a molecular weight of 156.32 g/mol. Its IUPAC name is 2-(disulfanyl)ethanedithioic acid.

Molecular Properties

Compound Name2-(disulfanyl)ethanedithioic acid
PubChem CID22250987
Molecular FormulaC2H4S4
Molecular Weight156.32 g/mol
Exact Mass155.92
IUPAC Name2-(disulfanyl)ethanedithioic acid
SMILESS=C(S)CSS
InChIInChI=1S/C2H4S4/c3-2(4)1-6-5/h5H,1H2,(H,3,4)
InChIKeyYRRHERDUKPBTCA-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)ethanedithioic acid?
The IUPAC name of 2-(disulfanyl)ethanedithioic acid (CID 22250987) is 2-(disulfanyl)ethanedithioic acid.
What is the SMILES notation for 2-(disulfanyl)ethanedithioic acid?
The canonical SMILES for 2-(disulfanyl)ethanedithioic acid is S=C(S)CSS.
What is the InChIKey of 2-(disulfanyl)ethanedithioic acid?
The InChIKey is YRRHERDUKPBTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S4/c3-2(4)1-6-5/h5H,1H2,(H,3,4).
What are the key properties of 2-(disulfanyl)ethanedithioic acid?
2-(disulfanyl)ethanedithioic acid has a molecular weight of 156.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)ethanedithioic acid is sourced from PubChem (CID 22250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).