9-sulfinylthioxanthene 10,10-dioxide

C13H8O3S2 — CID 822046

IUPAC9-sulfinylthioxanthene 10,10-dioxide
SMILESO=S=C1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H8O3S2/c14-17-13-9-5-1-3-7-11(9)18(15,16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyZFOWGRRCBSZMFC-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.61
Rot. Bonds

About 9-sulfinylthioxanthene 10,10-dioxide

9-sulfinylthioxanthene 10,10-dioxide (PubChem CID 822046) has the molecular formula C13H8O3S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 9-sulfinylthioxanthene 10,10-dioxide.

Molecular Properties

Compound Name9-sulfinylthioxanthene 10,10-dioxide
PubChem CID822046
Molecular FormulaC13H8O3S2
Molecular Weight276.34 g/mol
Exact Mass275.99
IUPAC Name9-sulfinylthioxanthene 10,10-dioxide
SMILESO=S=C1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C13H8O3S2/c14-17-13-9-5-1-3-7-11(9)18(15,16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyZFOWGRRCBSZMFC-UHFFFAOYSA-N
XLogP1.61
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_dibenzo(23)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-sulfinylthioxanthene 10,10-dioxide?
The IUPAC name of 9-sulfinylthioxanthene 10,10-dioxide (CID 822046) is 9-sulfinylthioxanthene 10,10-dioxide.
What is the SMILES notation for 9-sulfinylthioxanthene 10,10-dioxide?
The canonical SMILES for 9-sulfinylthioxanthene 10,10-dioxide is O=S=C1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 9-sulfinylthioxanthene 10,10-dioxide?
The InChIKey is ZFOWGRRCBSZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3S2/c14-17-13-9-5-1-3-7-11(9)18(15,16)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-sulfinylthioxanthene 10,10-dioxide?
9-sulfinylthioxanthene 10,10-dioxide has a molecular weight of 276.34 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-sulfinylthioxanthene 10,10-dioxide is sourced from PubChem (CID 822046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).