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

C12H8O2S — CID 12030254

IUPAC2-methylthiochromeno[3,2-b]furan-9-one
SMILESCc1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C12H8O2S/c1-7-6-10-12(14-7)11(13)8-4-2-3-5-9(8)15-10/h2-6H,1H3
InChIKeyDDXKAUCTQXDFAX-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.32
Rot. Bonds

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

2-methylthiochromeno[3,2-b]furan-9-one (PubChem CID 12030254) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-methylthiochromeno[3,2-b]furan-9-one.

Molecular Properties

Compound Name2-methylthiochromeno[3,2-b]furan-9-one
PubChem CID12030254
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Name2-methylthiochromeno[3,2-b]furan-9-one
SMILESCc1cc2sc3ccccc3c(=O)c2o1
InChIInChI=1S/C12H8O2S/c1-7-6-10-12(14-7)11(13)8-4-2-3-5-9(8)15-10/h2-6H,1H3
InChIKeyDDXKAUCTQXDFAX-UHFFFAOYSA-N
XLogP3.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylthiochromeno[3,2-b]furan-9-one?
The IUPAC name of 2-methylthiochromeno[3,2-b]furan-9-one (CID 12030254) is 2-methylthiochromeno[3,2-b]furan-9-one.
What is the SMILES notation for 2-methylthiochromeno[3,2-b]furan-9-one?
The canonical SMILES for 2-methylthiochromeno[3,2-b]furan-9-one is Cc1cc2sc3ccccc3c(=O)c2o1.
What is the InChIKey of 2-methylthiochromeno[3,2-b]furan-9-one?
The InChIKey is DDXKAUCTQXDFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c1-7-6-10-12(14-7)11(13)8-4-2-3-5-9(8)15-10/h2-6H,1H3.
What are the key properties of 2-methylthiochromeno[3,2-b]furan-9-one?
2-methylthiochromeno[3,2-b]furan-9-one has a molecular weight of 216.26 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthiochromeno[3,2-b]furan-9-one is sourced from PubChem (CID 12030254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).