6,7-dimethoxy-2,3-dihydrothiochromen-4-one

C11H12O3S — CID 849531

IUPAC6,7-dimethoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CCS2
InChIInChI=1S/C11H12O3S/c1-13-9-5-7-8(12)3-4-15-11(7)6-10(9)14-2/h5-6H,3-4H2,1-2H3
InChIKeyWOVHGMBVSIIGQA-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.38
Rot. Bonds2

About 6,7-dimethoxy-2,3-dihydrothiochromen-4-one

6,7-dimethoxy-2,3-dihydrothiochromen-4-one (PubChem CID 849531) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dihydrothiochromen-4-one
PubChem CID849531
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name6,7-dimethoxy-2,3-dihydrothiochromen-4-one
SMILESCOc1cc2c(cc1OC)C(=O)CCS2
InChIInChI=1S/C11H12O3S/c1-13-9-5-7-8(12)3-4-15-11(7)6-10(9)14-2/h5-6H,3-4H2,1-2H3
InChIKeyWOVHGMBVSIIGQA-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6,7-dimethoxy-2,3-dihydrothiochromen-4-one (CID 849531) is 6,7-dimethoxy-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6,7-dimethoxy-2,3-dihydrothiochromen-4-one is COc1cc2c(cc1OC)C(=O)CCS2.
What is the InChIKey of 6,7-dimethoxy-2,3-dihydrothiochromen-4-one?
The InChIKey is WOVHGMBVSIIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c1-13-9-5-7-8(12)3-4-15-11(7)6-10(9)14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,3-dihydrothiochromen-4-one?
6,7-dimethoxy-2,3-dihydrothiochromen-4-one has a molecular weight of 224.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 849531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).