terbium;thiadiazole-4,5-dicarboxylic acid

C4H2N2O4STb — CID 174773992

IUPACterbium;thiadiazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nnsc1C(=O)O.[Tb]
InChIInChI=1S/C4H2N2O4S.Tb/c7-3(8)1-2(4(9)10)11-6-5-1;/h(H,7,8)(H,9,10);
InChIKeyJUFVWXYFQUVKPH-UHFFFAOYSA-N
MW333.06 g/mol
LogP-0.07
Rot. Bonds2

About terbium;thiadiazole-4,5-dicarboxylic acid

terbium;thiadiazole-4,5-dicarboxylic acid (PubChem CID 174773992) has the molecular formula C4H2N2O4STb and a molecular weight of 333.06 g/mol. Its IUPAC name is terbium;thiadiazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Nameterbium;thiadiazole-4,5-dicarboxylic acid
PubChem CID174773992
Molecular FormulaC4H2N2O4STb
Molecular Weight333.06 g/mol
Exact Mass332.90
IUPAC Nameterbium;thiadiazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nnsc1C(=O)O.[Tb]
InChIInChI=1S/C4H2N2O4S.Tb/c7-3(8)1-2(4(9)10)11-6-5-1;/h(H,7,8)(H,9,10);
InChIKeyJUFVWXYFQUVKPH-UHFFFAOYSA-N
XLogP-0.07
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of terbium;thiadiazole-4,5-dicarboxylic acid?
The IUPAC name of terbium;thiadiazole-4,5-dicarboxylic acid (CID 174773992) is terbium;thiadiazole-4,5-dicarboxylic acid.
What is the SMILES notation for terbium;thiadiazole-4,5-dicarboxylic acid?
The canonical SMILES for terbium;thiadiazole-4,5-dicarboxylic acid is O=C(O)c1nnsc1C(=O)O.[Tb].
What is the InChIKey of terbium;thiadiazole-4,5-dicarboxylic acid?
The InChIKey is JUFVWXYFQUVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O4S.Tb/c7-3(8)1-2(4(9)10)11-6-5-1;/h(H,7,8)(H,9,10);.
What are the key properties of terbium;thiadiazole-4,5-dicarboxylic acid?
terbium;thiadiazole-4,5-dicarboxylic acid has a molecular weight of 333.06 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for terbium;thiadiazole-4,5-dicarboxylic acid is sourced from PubChem (CID 174773992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).