4-ethoxythiochromen-2-one

C11H10O2S — CID 11127428

IUPAC4-ethoxythiochromen-2-one
SMILESCCOc1cc(=O)sc2ccccc12
InChIInChI=1S/C11H10O2S/c1-2-13-9-7-11(12)14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeySVKPIFMIARNQQZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.66
Rot. Bonds2

About 4-ethoxythiochromen-2-one

4-ethoxythiochromen-2-one (PubChem CID 11127428) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-ethoxythiochromen-2-one.

Molecular Properties

Compound Name4-ethoxythiochromen-2-one
PubChem CID11127428
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name4-ethoxythiochromen-2-one
SMILESCCOc1cc(=O)sc2ccccc12
InChIInChI=1S/C11H10O2S/c1-2-13-9-7-11(12)14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeySVKPIFMIARNQQZ-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxythiochromen-2-one?
The IUPAC name of 4-ethoxythiochromen-2-one (CID 11127428) is 4-ethoxythiochromen-2-one.
What is the SMILES notation for 4-ethoxythiochromen-2-one?
The canonical SMILES for 4-ethoxythiochromen-2-one is CCOc1cc(=O)sc2ccccc12.
What is the InChIKey of 4-ethoxythiochromen-2-one?
The InChIKey is SVKPIFMIARNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-13-9-7-11(12)14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3.
What are the key properties of 4-ethoxythiochromen-2-one?
4-ethoxythiochromen-2-one has a molecular weight of 206.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxythiochromen-2-one is sourced from PubChem (CID 11127428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).