1,2-diphenylethane-1,2-dione;sulfane

C14H12O2S — CID 159672950

IUPAC1,2-diphenylethane-1,2-dione;sulfane
SMILESO=C(C(=O)c1ccccc1)c1ccccc1.S
InChIInChI=1S/C14H10O2.H2S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10H;1H2
InChIKeyFWEAXZRAPPKISA-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.87
Rot. Bonds3

About 1,2-diphenylethane-1,2-dione;sulfane

1,2-diphenylethane-1,2-dione;sulfane (PubChem CID 159672950) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1,2-diphenylethane-1,2-dione;sulfane.

Molecular Properties

Compound Name1,2-diphenylethane-1,2-dione;sulfane
PubChem CID159672950
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name1,2-diphenylethane-1,2-dione;sulfane
SMILESO=C(C(=O)c1ccccc1)c1ccccc1.S
InChIInChI=1S/C14H10O2.H2S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10H;1H2
InChIKeyFWEAXZRAPPKISA-UHFFFAOYSA-N
XLogP2.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
ethane;1-phenylpropane-1,2-dione
CID 91588764
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;ethenyl(trimethyl)azanium;bromide
CID 174526746
2,3-dioxo-3-phenylpropanoyl chloride
CID 87558488

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethane-1,2-dione;sulfane?
The IUPAC name of 1,2-diphenylethane-1,2-dione;sulfane (CID 159672950) is 1,2-diphenylethane-1,2-dione;sulfane.
What is the SMILES notation for 1,2-diphenylethane-1,2-dione;sulfane?
The canonical SMILES for 1,2-diphenylethane-1,2-dione;sulfane is O=C(C(=O)c1ccccc1)c1ccccc1.S.
What is the InChIKey of 1,2-diphenylethane-1,2-dione;sulfane?
The InChIKey is FWEAXZRAPPKISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.H2S/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-10H;1H2.
What are the key properties of 1,2-diphenylethane-1,2-dione;sulfane?
1,2-diphenylethane-1,2-dione;sulfane has a molecular weight of 244.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethane-1,2-dione;sulfane is sourced from PubChem (CID 159672950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).