7-ethyl-3-sulfanylidene-2-benzofuran-1-one

C10H8O2S — CID 87298563

IUPAC7-ethyl-3-sulfanylidene-2-benzofuran-1-one
SMILESCCc1cccc2c1C(=O)OC2=S
InChIInChI=1S/C10H8O2S/c1-2-6-4-3-5-7-8(6)9(11)12-10(7)13/h3-5H,2H2,1H3
InChIKeyKIZMJNYCZBFFMO-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.09
Rot. Bonds1

About 7-ethyl-3-sulfanylidene-2-benzofuran-1-one

7-ethyl-3-sulfanylidene-2-benzofuran-1-one (PubChem CID 87298563) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 7-ethyl-3-sulfanylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name7-ethyl-3-sulfanylidene-2-benzofuran-1-one
PubChem CID87298563
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name7-ethyl-3-sulfanylidene-2-benzofuran-1-one
SMILESCCc1cccc2c1C(=O)OC2=S
InChIInChI=1S/C10H8O2S/c1-2-6-4-3-5-7-8(6)9(11)12-10(7)13/h3-5H,2H2,1H3
InChIKeyKIZMJNYCZBFFMO-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-ethyl-3-sulfanylidene-2-benzofuran-1-one?
The IUPAC name of 7-ethyl-3-sulfanylidene-2-benzofuran-1-one (CID 87298563) is 7-ethyl-3-sulfanylidene-2-benzofuran-1-one.
What is the SMILES notation for 7-ethyl-3-sulfanylidene-2-benzofuran-1-one?
The canonical SMILES for 7-ethyl-3-sulfanylidene-2-benzofuran-1-one is CCc1cccc2c1C(=O)OC2=S.
What is the InChIKey of 7-ethyl-3-sulfanylidene-2-benzofuran-1-one?
The InChIKey is KIZMJNYCZBFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-2-6-4-3-5-7-8(6)9(11)12-10(7)13/h3-5H,2H2,1H3.
What are the key properties of 7-ethyl-3-sulfanylidene-2-benzofuran-1-one?
7-ethyl-3-sulfanylidene-2-benzofuran-1-one has a molecular weight of 192.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-sulfanylidene-2-benzofuran-1-one is sourced from PubChem (CID 87298563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).