4-ethyl-2-sulfanylidene-1H-indol-3-one

C10H9NOS — CID 54173617

IUPAC4-ethyl-2-sulfanylidene-1H-indol-3-one
SMILESCCc1cccc2c1C(=O)C(=S)N2
InChIInChI=1S/C10H9NOS/c1-2-6-4-3-5-7-8(6)9(12)10(13)11-7/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyOWSIBJCNPMKSSW-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.18
Rot. Bonds1

About 4-ethyl-2-sulfanylidene-1H-indol-3-one

4-ethyl-2-sulfanylidene-1H-indol-3-one (PubChem CID 54173617) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-ethyl-2-sulfanylidene-1H-indol-3-one.

Molecular Properties

Compound Name4-ethyl-2-sulfanylidene-1H-indol-3-one
PubChem CID54173617
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name4-ethyl-2-sulfanylidene-1H-indol-3-one
SMILESCCc1cccc2c1C(=O)C(=S)N2
InChIInChI=1S/C10H9NOS/c1-2-6-4-3-5-7-8(6)9(12)10(13)11-7/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyOWSIBJCNPMKSSW-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
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 4-ethyl-2-sulfanylidene-1H-indol-3-one?
The IUPAC name of 4-ethyl-2-sulfanylidene-1H-indol-3-one (CID 54173617) is 4-ethyl-2-sulfanylidene-1H-indol-3-one.
What is the SMILES notation for 4-ethyl-2-sulfanylidene-1H-indol-3-one?
The canonical SMILES for 4-ethyl-2-sulfanylidene-1H-indol-3-one is CCc1cccc2c1C(=O)C(=S)N2.
What is the InChIKey of 4-ethyl-2-sulfanylidene-1H-indol-3-one?
The InChIKey is OWSIBJCNPMKSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-2-6-4-3-5-7-8(6)9(12)10(13)11-7/h3-5H,2H2,1H3,(H,11,12,13).
What are the key properties of 4-ethyl-2-sulfanylidene-1H-indol-3-one?
4-ethyl-2-sulfanylidene-1H-indol-3-one has a molecular weight of 191.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-sulfanylidene-1H-indol-3-one is sourced from PubChem (CID 54173617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).