9H-thioxanthene-1,9-diol

C13H10O2S — CID 71345506

IUPAC9H-thioxanthene-1,9-diol
SMILESOc1cccc2c1C(O)c1ccccc1S2
InChIInChI=1S/C13H10O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,13-15H
InChIKeyQRJOUKSHDFHOBN-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.94
Rot. Bonds

About 9H-thioxanthene-1,9-diol

9H-thioxanthene-1,9-diol (PubChem CID 71345506) has the molecular formula C13H10O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 9H-thioxanthene-1,9-diol.

Molecular Properties

Compound Name9H-thioxanthene-1,9-diol
PubChem CID71345506
Molecular FormulaC13H10O2S
Molecular Weight230.29 g/mol
Exact Mass230.04
IUPAC Name9H-thioxanthene-1,9-diol
SMILESOc1cccc2c1C(O)c1ccccc1S2
InChIInChI=1S/C13H10O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,13-15H
InChIKeyQRJOUKSHDFHOBN-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-thioxanthene-1,9-diol?
The IUPAC name of 9H-thioxanthene-1,9-diol (CID 71345506) is 9H-thioxanthene-1,9-diol.
What is the SMILES notation for 9H-thioxanthene-1,9-diol?
The canonical SMILES for 9H-thioxanthene-1,9-diol is Oc1cccc2c1C(O)c1ccccc1S2.
What is the InChIKey of 9H-thioxanthene-1,9-diol?
The InChIKey is QRJOUKSHDFHOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h1-7,13-15H.
What are the key properties of 9H-thioxanthene-1,9-diol?
9H-thioxanthene-1,9-diol has a molecular weight of 230.29 g/mol, XLogP of 2.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thioxanthene-1,9-diol is sourced from PubChem (CID 71345506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).