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

C10H10O3S — CID 576311

IUPAC8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCc1cccc2c1S(=O)(=O)CCC2=O
InChIInChI=1S/C10H10O3S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4H,5-6H2,1H3
InChIKeyICENNGTVIUFMJQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.36
Rot. Bonds

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

8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (PubChem CID 576311) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
PubChem CID576311
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCc1cccc2c1S(=O)(=O)CCC2=O
InChIInChI=1S/C10H10O3S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4H,5-6H2,1H3
InChIKeyICENNGTVIUFMJQ-UHFFFAOYSA-N
XLogP1.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (CID 576311) is 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is Cc1cccc2c1S(=O)(=O)CCC2=O.
What is the InChIKey of 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The InChIKey is ICENNGTVIUFMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-7-3-2-4-8-9(11)5-6-14(12,13)10(7)8/h2-4H,5-6H2,1H3.
What are the key properties of 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one has a molecular weight of 210.25 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 576311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).