5-ethoxy-2-oxoindole-3-carbothialdehyde

C11H9NO2S — CID 23212394

IUPAC5-ethoxy-2-oxoindole-3-carbothialdehyde
SMILESCCOc1ccc2c(c1)=C(C=S)C(=O)N=2
InChIInChI=1S/C11H9NO2S/c1-2-14-7-3-4-10-8(5-7)9(6-15)11(13)12-10/h3-6H,2H2,1H3
InChIKeyDLGSSHGHAULFOK-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.40
Rot. Bonds3

About 5-ethoxy-2-oxoindole-3-carbothialdehyde

5-ethoxy-2-oxoindole-3-carbothialdehyde (PubChem CID 23212394) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-ethoxy-2-oxoindole-3-carbothialdehyde.

Molecular Properties

Compound Name5-ethoxy-2-oxoindole-3-carbothialdehyde
PubChem CID23212394
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name5-ethoxy-2-oxoindole-3-carbothialdehyde
SMILESCCOc1ccc2c(c1)=C(C=S)C(=O)N=2
InChIInChI=1S/C11H9NO2S/c1-2-14-7-3-4-10-8(5-7)9(6-15)11(13)12-10/h3-6H,2H2,1H3
InChIKeyDLGSSHGHAULFOK-UHFFFAOYSA-N
XLogP0.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-oxoindole-3-carbothialdehyde?
The IUPAC name of 5-ethoxy-2-oxoindole-3-carbothialdehyde (CID 23212394) is 5-ethoxy-2-oxoindole-3-carbothialdehyde.
What is the SMILES notation for 5-ethoxy-2-oxoindole-3-carbothialdehyde?
The canonical SMILES for 5-ethoxy-2-oxoindole-3-carbothialdehyde is CCOc1ccc2c(c1)=C(C=S)C(=O)N=2.
What is the InChIKey of 5-ethoxy-2-oxoindole-3-carbothialdehyde?
The InChIKey is DLGSSHGHAULFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-2-14-7-3-4-10-8(5-7)9(6-15)11(13)12-10/h3-6H,2H2,1H3.
What are the key properties of 5-ethoxy-2-oxoindole-3-carbothialdehyde?
5-ethoxy-2-oxoindole-3-carbothialdehyde has a molecular weight of 219.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-oxoindole-3-carbothialdehyde is sourced from PubChem (CID 23212394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).