8-methyl-1-oxo-2,3-dihydrothiochromen-4-one

C10H10O2S — CID 597287

IUPAC8-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCc1cccc2c1S(=O)CCC2=O
InChIInChI=1S/C10H10O2S/c1-7-3-2-4-8-9(11)5-6-13(12)10(7)8/h2-4H,5-6H2,1H3
InChIKeyGWEAWDSZMKACGO-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.69
Rot. Bonds

About 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one

8-methyl-1-oxo-2,3-dihydrothiochromen-4-one (PubChem CID 597287) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name8-methyl-1-oxo-2,3-dihydrothiochromen-4-one
PubChem CID597287
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name8-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCc1cccc2c1S(=O)CCC2=O
InChIInChI=1S/C10H10O2S/c1-7-3-2-4-8-9(11)5-6-13(12)10(7)8/h2-4H,5-6H2,1H3
InChIKeyGWEAWDSZMKACGO-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one (CID 597287) is 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one is Cc1cccc2c1S(=O)CCC2=O.
What is the InChIKey of 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The InChIKey is GWEAWDSZMKACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-7-3-2-4-8-9(11)5-6-13(12)10(7)8/h2-4H,5-6H2,1H3.
What are the key properties of 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
8-methyl-1-oxo-2,3-dihydrothiochromen-4-one has a molecular weight of 194.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 597287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).