ethylsulfinylmethanethial

C3H6OS2 — CID 87738979

IUPACethylsulfinylmethanethial
SMILESCCS(=O)C=S
InChIInChI=1S/C3H6OS2/c1-2-6(4)3-5/h3H,2H2,1H3
InChIKeyWDYICUMTAMXTJG-UHFFFAOYSA-N
MW122.21 g/mol
LogP0.71
Rot. Bonds2

About ethylsulfinylmethanethial

ethylsulfinylmethanethial (PubChem CID 87738979) has the molecular formula C3H6OS2 and a molecular weight of 122.21 g/mol. Its IUPAC name is ethylsulfinylmethanethial.

Molecular Properties

Compound Nameethylsulfinylmethanethial
PubChem CID87738979
Molecular FormulaC3H6OS2
Molecular Weight122.21 g/mol
Exact Mass121.99
IUPAC Nameethylsulfinylmethanethial
SMILESCCS(=O)C=S
InChIInChI=1S/C3H6OS2/c1-2-6(4)3-5/h3H,2H2,1H3
InChIKeyWDYICUMTAMXTJG-UHFFFAOYSA-N
XLogP0.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfinylmethanethial?
The IUPAC name of ethylsulfinylmethanethial (CID 87738979) is ethylsulfinylmethanethial.
What is the SMILES notation for ethylsulfinylmethanethial?
The canonical SMILES for ethylsulfinylmethanethial is CCS(=O)C=S.
What is the InChIKey of ethylsulfinylmethanethial?
The InChIKey is WDYICUMTAMXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2/c1-2-6(4)3-5/h3H,2H2,1H3.
What are the key properties of ethylsulfinylmethanethial?
ethylsulfinylmethanethial has a molecular weight of 122.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylmethanethial is sourced from PubChem (CID 87738979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).