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

C10H9ClO3S — CID 43536475

IUPAC8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2cccc(Cl)c2S1(=O)=O
InChIInChI=1S/C10H9ClO3S/c1-6-5-9(12)7-3-2-4-8(11)10(7)15(6,13)14/h2-4,6H,5H2,1H3
InChIKeyBGFNDAYROIAHSV-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.09
Rot. Bonds

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

8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (PubChem CID 43536475) has the molecular formula C10H9ClO3S and a molecular weight of 244.70 g/mol. Its IUPAC name is 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
PubChem CID43536475
Molecular FormulaC10H9ClO3S
Molecular Weight244.70 g/mol
Exact Mass244.00
IUPAC Name8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2cccc(Cl)c2S1(=O)=O
InChIInChI=1S/C10H9ClO3S/c1-6-5-9(12)7-3-2-4-8(11)10(7)15(6,13)14/h2-4,6H,5H2,1H3
InChIKeyBGFNDAYROIAHSV-UHFFFAOYSA-N
XLogP2.09
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (CID 43536475) is 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is CC1CC(=O)c2cccc(Cl)c2S1(=O)=O.
What is the InChIKey of 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The InChIKey is BGFNDAYROIAHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3S/c1-6-5-9(12)7-3-2-4-8(11)10(7)15(6,13)14/h2-4,6H,5H2,1H3.
What are the key properties of 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one has a molecular weight of 244.70 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 43536475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).