2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid

C4H6OS4 — CID 28324

IUPAC2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid
SMILESS=C(S)COCC(=S)S
InChIInChI=1S/C4H6OS4/c6-3(7)1-5-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKeyWMGAOQDSBKBJPT-UHFFFAOYSA-N
MW198.36 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid

2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid (PubChem CID 28324) has the molecular formula C4H6OS4 and a molecular weight of 198.36 g/mol. Its IUPAC name is 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid.

Molecular Properties

Compound Name2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid
PubChem CID28324
Molecular FormulaC4H6OS4
Molecular Weight198.36 g/mol
Exact Mass197.93
IUPAC Name2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid
SMILESS=C(S)COCC(=S)S
InChIInChI=1S/C4H6OS4/c6-3(7)1-5-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKeyWMGAOQDSBKBJPT-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid?
The IUPAC name of 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid (CID 28324) is 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid.
What is the SMILES notation for 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid?
The canonical SMILES for 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid is S=C(S)COCC(=S)S.
What is the InChIKey of 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid?
The InChIKey is WMGAOQDSBKBJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS4/c6-3(7)1-5-2-4(8)9/h1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid?
2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid has a molecular weight of 198.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanyl-2-sulfanylideneethoxy)ethanedithioic acid is sourced from PubChem (CID 28324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).