anthracene-9,10-dione;methylsulfinylmethane

C16H14O3S — CID 158383413

IUPACanthracene-9,10-dione;methylsulfinylmethane
SMILESCS(C)=O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C2H6OS/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-4(2)3/h1-8H;1-2H3
InChIKeyGWBPHFZYSWNLAX-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.46
Rot. Bonds

About anthracene-9,10-dione;methylsulfinylmethane

anthracene-9,10-dione;methylsulfinylmethane (PubChem CID 158383413) has the molecular formula C16H14O3S and a molecular weight of 286.35 g/mol. Its IUPAC name is anthracene-9,10-dione;methylsulfinylmethane.

Molecular Properties

Compound Nameanthracene-9,10-dione;methylsulfinylmethane
PubChem CID158383413
Molecular FormulaC16H14O3S
Molecular Weight286.35 g/mol
Exact Mass286.07
IUPAC Nameanthracene-9,10-dione;methylsulfinylmethane
SMILESCS(C)=O.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C2H6OS/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-4(2)3/h1-8H;1-2H3
InChIKeyGWBPHFZYSWNLAX-UHFFFAOYSA-N
XLogP2.46
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;methylsulfinylmethane?
The IUPAC name of anthracene-9,10-dione;methylsulfinylmethane (CID 158383413) is anthracene-9,10-dione;methylsulfinylmethane.
What is the SMILES notation for anthracene-9,10-dione;methylsulfinylmethane?
The canonical SMILES for anthracene-9,10-dione;methylsulfinylmethane is CS(C)=O.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;methylsulfinylmethane?
The InChIKey is GWBPHFZYSWNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C2H6OS/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-4(2)3/h1-8H;1-2H3.
What are the key properties of anthracene-9,10-dione;methylsulfinylmethane?
anthracene-9,10-dione;methylsulfinylmethane has a molecular weight of 286.35 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;methylsulfinylmethane is sourced from PubChem (CID 158383413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).