2,2,2-tris(sulfanyl)acetaldehyde

C2H4OS3 — CID 57494291

IUPAC2,2,2-tris(sulfanyl)acetaldehyde
SMILESO=CC(S)(S)S
InChIInChI=1S/C2H4OS3/c3-1-2(4,5)6/h1,4-6H
InChIKeyLXWBUQAPAMGQAI-UHFFFAOYSA-N
MW140.25 g/mol
LogP0.63
Rot. Bonds1

About 2,2,2-tris(sulfanyl)acetaldehyde

2,2,2-tris(sulfanyl)acetaldehyde (PubChem CID 57494291) has the molecular formula C2H4OS3 and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,2,2-tris(sulfanyl)acetaldehyde.

Molecular Properties

Compound Name2,2,2-tris(sulfanyl)acetaldehyde
PubChem CID57494291
Molecular FormulaC2H4OS3
Molecular Weight140.25 g/mol
Exact Mass139.94
IUPAC Name2,2,2-tris(sulfanyl)acetaldehyde
SMILESO=CC(S)(S)S
InChIInChI=1S/C2H4OS3/c3-1-2(4,5)6/h1,4-6H
InChIKeyLXWBUQAPAMGQAI-UHFFFAOYSA-N
XLogP0.63
TPSA17.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris(sulfanyl)acetaldehyde?
The IUPAC name of 2,2,2-tris(sulfanyl)acetaldehyde (CID 57494291) is 2,2,2-tris(sulfanyl)acetaldehyde.
What is the SMILES notation for 2,2,2-tris(sulfanyl)acetaldehyde?
The canonical SMILES for 2,2,2-tris(sulfanyl)acetaldehyde is O=CC(S)(S)S.
What is the InChIKey of 2,2,2-tris(sulfanyl)acetaldehyde?
The InChIKey is LXWBUQAPAMGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4OS3/c3-1-2(4,5)6/h1,4-6H.
What are the key properties of 2,2,2-tris(sulfanyl)acetaldehyde?
2,2,2-tris(sulfanyl)acetaldehyde has a molecular weight of 140.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris(sulfanyl)acetaldehyde is sourced from PubChem (CID 57494291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).