thioxanthene-9-thione

C13H8S2 — CID 640634

IUPACthioxanthene-9-thione
SMILESS=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C13H8S2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKeyGFFOQYKXLQSUKD-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.78
Rot. Bonds

About thioxanthene-9-thione

thioxanthene-9-thione (PubChem CID 640634) has the molecular formula C13H8S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is thioxanthene-9-thione.

Molecular Properties

Compound Namethioxanthene-9-thione
PubChem CID640634
Molecular FormulaC13H8S2
Molecular Weight228.34 g/mol
Exact Mass228.01
IUPAC Namethioxanthene-9-thione
SMILESS=c1c2ccccc2sc2ccccc12
InChIInChI=1S/C13H8S2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKeyGFFOQYKXLQSUKD-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thioxanthene-9-thione?
The IUPAC name of thioxanthene-9-thione (CID 640634) is thioxanthene-9-thione.
What is the SMILES notation for thioxanthene-9-thione?
The canonical SMILES for thioxanthene-9-thione is S=c1c2ccccc2sc2ccccc12.
What is the InChIKey of thioxanthene-9-thione?
The InChIKey is GFFOQYKXLQSUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8S2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of thioxanthene-9-thione?
thioxanthene-9-thione has a molecular weight of 228.34 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thioxanthene-9-thione is sourced from PubChem (CID 640634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).