(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione

C19H16O3S2 — CID 1269928

IUPAC(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccco1)C(C(=O)c1ccccc1)=C1SCCCS1
InChIInChI=1S/C19H16O3S2/c20-16(10-9-15-8-4-11-22-15)17(19-23-12-5-13-24-19)18(21)14-6-2-1-3-7-14/h1-4,6-11H,5,12-13H2/b10-9+
InChIKeyKFDJCYSFYPKHDS-MDZDMXLPSA-N
MW356.47 g/mol
LogP4.83
Rot. Bonds5

About (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione

(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione (PubChem CID 1269928) has the molecular formula C19H16O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione.

Molecular Properties

Compound Name(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione
PubChem CID1269928
Molecular FormulaC19H16O3S2
Molecular Weight356.47 g/mol
Exact Mass356.05
IUPAC Name(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione
SMILESO=C(/C=C/c1ccco1)C(C(=O)c1ccccc1)=C1SCCCS1
InChIInChI=1S/C19H16O3S2/c20-16(10-9-15-8-4-11-22-15)17(19-23-12-5-13-24-19)18(21)14-6-2-1-3-7-14/h1-4,6-11H,5,12-13H2/b10-9+
InChIKeyKFDJCYSFYPKHDS-MDZDMXLPSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoic acid
CID 72771340
(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-1-phenylpent-4-ene-1,3-dione
CID 1269921
(E)-2-(1,3-dithiolan-2-ylidene)-5-(2-nitrophenyl)-1-phenylpent-4-ene-1,3-dione
CID 1032631
(E,2E)-5-(furan-2-yl)-2-[(4R)-4-methyl-1,3-dithiolan-2-ylidene]-3-oxopent-4-enoic acid
CID 40543144
(E,2E)-5-(furan-2-yl)-2-(4-methyl-1,3-dithiolan-2-ylidene)-3-oxopent-4-enoic acid
CID 6089241
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
(1E,3E,8E,10E)-6-(1,3-dithiepan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione
CID 6268148
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione?
The IUPAC name of (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione (CID 1269928) is (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione.
What is the SMILES notation for (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione?
The canonical SMILES for (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione is O=C(/C=C/c1ccco1)C(C(=O)c1ccccc1)=C1SCCCS1.
What is the InChIKey of (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione?
The InChIKey is KFDJCYSFYPKHDS-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16O3S2/c20-16(10-9-15-8-4-11-22-15)17(19-23-12-5-13-24-19)18(21)14-6-2-1-3-7-14/h1-4,6-11H,5,12-13H2/b10-9+.
What are the key properties of (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione?
(E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione has a molecular weight of 356.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,3-dithian-2-ylidene)-5-(furan-2-yl)-1-phenylpent-4-ene-1,3-dione is sourced from PubChem (CID 1269928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).