9H-thioxanthene 10-oxide

C13H10OS — CID 5324695

IUPAC9H-thioxanthene 10-oxide
SMILESO=S1c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10OS/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyPKICNJBYRWRABI-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.76
Rot. Bonds

About 9H-thioxanthene 10-oxide

9H-thioxanthene 10-oxide (PubChem CID 5324695) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name9H-thioxanthene 10-oxide
PubChem CID5324695
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name9H-thioxanthene 10-oxide
SMILESO=S1c2ccccc2Cc2ccccc21
InChIInChI=1S/C13H10OS/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyPKICNJBYRWRABI-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-thioxanthene 10-oxide?
The IUPAC name of 9H-thioxanthene 10-oxide (CID 5324695) is 9H-thioxanthene 10-oxide.
What is the SMILES notation for 9H-thioxanthene 10-oxide?
The canonical SMILES for 9H-thioxanthene 10-oxide is O=S1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9H-thioxanthene 10-oxide?
The InChIKey is PKICNJBYRWRABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-15-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2.
What are the key properties of 9H-thioxanthene 10-oxide?
9H-thioxanthene 10-oxide has a molecular weight of 214.29 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thioxanthene 10-oxide is sourced from PubChem (CID 5324695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).