9H-thioxanthene 10,10-dioxide

C13H10O2S — CID 596953

IUPAC9H-thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10O2S/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyXEIVFUWZYMWLEP-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.42
Rot. Bonds

About 9H-thioxanthene 10,10-dioxide

9H-thioxanthene 10,10-dioxide (PubChem CID 596953) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 9H-thioxanthene 10,10-dioxide.

Molecular Properties

Compound Name9H-thioxanthene 10,10-dioxide
PubChem CID596953
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name9H-thioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10O2S/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyXEIVFUWZYMWLEP-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-thioxanthene 10,10-dioxide?
The IUPAC name of 9H-thioxanthene 10,10-dioxide (CID 596953) is 9H-thioxanthene 10,10-dioxide.
What is the SMILES notation for 9H-thioxanthene 10,10-dioxide?
The canonical SMILES for 9H-thioxanthene 10,10-dioxide is O=S1(=O)c2ccccc2Cc2ccccc21.
What is the InChIKey of 9H-thioxanthene 10,10-dioxide?
The InChIKey is XEIVFUWZYMWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c14-16(15)12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2.
What are the key properties of 9H-thioxanthene 10,10-dioxide?
9H-thioxanthene 10,10-dioxide has a molecular weight of 230.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thioxanthene 10,10-dioxide is sourced from PubChem (CID 596953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).