2-(disulfanyl)propanedial

C3H4O2S2 — CID 20573951

IUPAC2-(disulfanyl)propanedial
SMILESO=CC(C=O)SS
InChIInChI=1S/C3H4O2S2/c4-1-3(2-5)7-6/h1-3,6H
InChIKeyFYAYOJTZEWVKPG-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.33
Rot. Bonds3

About 2-(disulfanyl)propanedial

2-(disulfanyl)propanedial (PubChem CID 20573951) has the molecular formula C3H4O2S2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(disulfanyl)propanedial.

Molecular Properties

Compound Name2-(disulfanyl)propanedial
PubChem CID20573951
Molecular FormulaC3H4O2S2
Molecular Weight136.20 g/mol
Exact Mass135.97
IUPAC Name2-(disulfanyl)propanedial
SMILESO=CC(C=O)SS
InChIInChI=1S/C3H4O2S2/c4-1-3(2-5)7-6/h1-3,6H
InChIKeyFYAYOJTZEWVKPG-UHFFFAOYSA-N
XLogP0.33
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(disulfanyl)-3-methylhept-6-ynal
CID 173102067
disulfanylmethanediol
CID 91433290
2,5-bis(sulfanyl)hexanedial
CID 22094701
2-(disulfanyl)but-3-enoic acid
CID 87491254
3-ethylsulfonyl-2-methylpropanal
CID 20592362
(2S)-2-methyl-3-trimethylsilylbut-3-enal
CID 13311859
2,4-dimethyl-3-oxopentanedial
CID 59445454
2-chloro-2-nitrosoacetaldehyde
CID 54434065
2-methylpropanal;titanium
CID 87093638
2-methylpropanal;zirconium
CID 87321410
2-(phosphanylamino)-2-sulfanylacetaldehyde
CID 134179040
2-oxo-1-(trihydroxy-λ4-sulfanyl)ethanesulfonic acid
CID 57076768

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)propanedial?
The IUPAC name of 2-(disulfanyl)propanedial (CID 20573951) is 2-(disulfanyl)propanedial.
What is the SMILES notation for 2-(disulfanyl)propanedial?
The canonical SMILES for 2-(disulfanyl)propanedial is O=CC(C=O)SS.
What is the InChIKey of 2-(disulfanyl)propanedial?
The InChIKey is FYAYOJTZEWVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2S2/c4-1-3(2-5)7-6/h1-3,6H.
What are the key properties of 2-(disulfanyl)propanedial?
2-(disulfanyl)propanedial has a molecular weight of 136.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)propanedial is sourced from PubChem (CID 20573951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).