copper;9H-thioxanthene

C13H10CuS — CID 174315063

IUPACcopper;9H-thioxanthene
SMILES[Cu].c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.Cu/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-8H,9H2;
InChIKeyLIHYFFYMGSLCDS-UHFFFAOYSA-N
MW261.84 g/mol
LogP3.74
Rot. Bonds

About copper;9H-thioxanthene

copper;9H-thioxanthene (PubChem CID 174315063) has the molecular formula C13H10CuS and a molecular weight of 261.84 g/mol. Its IUPAC name is copper;9H-thioxanthene.

Molecular Properties

Compound Namecopper;9H-thioxanthene
PubChem CID174315063
Molecular FormulaC13H10CuS
Molecular Weight261.84 g/mol
Exact Mass260.98
IUPAC Namecopper;9H-thioxanthene
SMILES[Cu].c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C13H10S.Cu/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-8H,9H2;
InChIKeyLIHYFFYMGSLCDS-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze copper;9H-thioxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;9H-thioxanthene?
The IUPAC name of copper;9H-thioxanthene (CID 174315063) is copper;9H-thioxanthene.
What is the SMILES notation for copper;9H-thioxanthene?
The canonical SMILES for copper;9H-thioxanthene is [Cu].c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of copper;9H-thioxanthene?
The InChIKey is LIHYFFYMGSLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S.Cu/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-8H,9H2;.
What are the key properties of copper;9H-thioxanthene?
copper;9H-thioxanthene has a molecular weight of 261.84 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper;9H-thioxanthene is sourced from PubChem (CID 174315063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).