2-ethylthiochromeno[3,2-b]furan-9-one

C13H10O2S — CID 11107153

IUPAC2-ethylthiochromeno[3,2-b]furan-9-one
SMILESCCc1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C13H10O2S/c1-2-8-7-11-13(15-8)12(14)9-5-3-4-6-10(9)16-11/h3-7H,2H2,1H3
InChIKeyZKRDHTDXLHLZRA-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.57
Rot. Bonds1

About 2-ethylthiochromeno[3,2-b]furan-9-one

2-ethylthiochromeno[3,2-b]furan-9-one (PubChem CID 11107153) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-ethylthiochromeno[3,2-b]furan-9-one.

Molecular Properties

Compound Name2-ethylthiochromeno[3,2-b]furan-9-one
PubChem CID11107153
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name2-ethylthiochromeno[3,2-b]furan-9-one
SMILESCCc1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C13H10O2S/c1-2-8-7-11-13(15-8)12(14)9-5-3-4-6-10(9)16-11/h3-7H,2H2,1H3
InChIKeyZKRDHTDXLHLZRA-UHFFFAOYSA-N
XLogP3.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylthiochromeno[3,2-b]furan-9-one?
The IUPAC name of 2-ethylthiochromeno[3,2-b]furan-9-one (CID 11107153) is 2-ethylthiochromeno[3,2-b]furan-9-one.
What is the SMILES notation for 2-ethylthiochromeno[3,2-b]furan-9-one?
The canonical SMILES for 2-ethylthiochromeno[3,2-b]furan-9-one is CCc1cc2sc3ccccc3c(=O)c2o1.
What is the InChIKey of 2-ethylthiochromeno[3,2-b]furan-9-one?
The InChIKey is ZKRDHTDXLHLZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c1-2-8-7-11-13(15-8)12(14)9-5-3-4-6-10(9)16-11/h3-7H,2H2,1H3.
What are the key properties of 2-ethylthiochromeno[3,2-b]furan-9-one?
2-ethylthiochromeno[3,2-b]furan-9-one has a molecular weight of 230.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiochromeno[3,2-b]furan-9-one is sourced from PubChem (CID 11107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).