(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

C15H9Cl2NO2S — CID 6114880

IUPAC(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c1-7-4-10-12(20-15(19)13(10)14(21)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,21)/b12-5-
InChIKeyDSBQBHLCPHLMNA-XGICHPGQSA-N
MW338.22 g/mol
LogP5.03
Rot. Bonds1

About (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one

(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (PubChem CID 6114880) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
PubChem CID6114880
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c1-7-4-10-12(20-15(19)13(10)14(21)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,21)/b12-5-
InChIKeyDSBQBHLCPHLMNA-XGICHPGQSA-N
XLogP5.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_J(4)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-Chlorobenzylidene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25155058
(Z)-1-Benzylidene-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25156419
1-(3,4-Dichloro-benzylidene)-6-methyl-4-thioxo-4,5-dihydro-1H-furo[3,4-c]pyridin-3-one
CID 5371369
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1799228
1-(2,4-dichlorobenzylidene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 7046156
1-(2,4-Dichlorobenzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1799226
1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 625466
1-[(3,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 684846
1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 4456367
(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 5392542
(1Z)-1-(2-chlorobenzylidene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 6324062
1-[(2-chlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 72167031

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The IUPAC name of (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one (CID 6114880) is (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
The InChIKey is DSBQBHLCPHLMNA-XGICHPGQSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c1-7-4-10-12(20-15(19)13(10)14(21)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,21)/b12-5-.
What are the key properties of (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one?
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one has a molecular weight of 338.22 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 6114880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).