ethylsulfinylformaldehyde

C3H6O2S — CID 20503941

IUPACethylsulfinylformaldehyde
SMILESCCS(=O)C=O
InChIInChI=1S/C3H6O2S/c1-2-6(5)3-4/h3H,2H2,1H3
InChIKeyOFJHJIYETIPDNN-UHFFFAOYSA-N
MW106.15 g/mol
LogP-0.05
Rot. Bonds2

About ethylsulfinylformaldehyde

ethylsulfinylformaldehyde (PubChem CID 20503941) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is ethylsulfinylformaldehyde.

Molecular Properties

Compound Nameethylsulfinylformaldehyde
PubChem CID20503941
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Nameethylsulfinylformaldehyde
SMILESCCS(=O)C=O
InChIInChI=1S/C3H6O2S/c1-2-6(5)3-4/h3H,2H2,1H3
InChIKeyOFJHJIYETIPDNN-UHFFFAOYSA-N
XLogP-0.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

ethylsulfinylmethanethial
CID 87738979
ethylsulfinylmethanimine
CID 171035287
ethyl-methylidyne-oxo-λ6-sulfane
CID 145181210
2-ethylsulfinylbutanal
CID 20521768
[(Z)-2-ethylsulfinylethenyl]benzene
CID 13227450
sodium ethanesulfinic acid
CID 19960758
1-ethylsulfinylsulfanylsulfinylethane
CID 88801276
CID 87376343
CID 87376343
ethanesulfinamide;hydrochloride
CID 155487048
alumane;butanal
CID 175259224
[methylidene(propyl)-λ4-sulfanyl]formaldehyde
CID 91605387
propanal;propane
CID 91031727

Frequently Asked Questions

What is the IUPAC name of ethylsulfinylformaldehyde?
The IUPAC name of ethylsulfinylformaldehyde (CID 20503941) is ethylsulfinylformaldehyde.
What is the SMILES notation for ethylsulfinylformaldehyde?
The canonical SMILES for ethylsulfinylformaldehyde is CCS(=O)C=O.
What is the InChIKey of ethylsulfinylformaldehyde?
The InChIKey is OFJHJIYETIPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c1-2-6(5)3-4/h3H,2H2,1H3.
What are the key properties of ethylsulfinylformaldehyde?
ethylsulfinylformaldehyde has a molecular weight of 106.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylformaldehyde is sourced from PubChem (CID 20503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).