thiadiazole-4,5-dicarboxylic acid

C8H4N4O8S2 — CID 174822773

IUPACthiadiazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nnsc1C(=O)O.O=C(O)c1nnsc1C(=O)O
InChIInChI=1S/2C4H2N2O4S/c2*7-3(8)1-2(4(9)10)11-6-5-1/h2*(H,7,8)(H,9,10)
InChIKeyMQZVDMJZSRXOEK-UHFFFAOYSA-N
MW348.27 g/mol
LogP-0.13
Rot. Bonds4

About thiadiazole-4,5-dicarboxylic acid

thiadiazole-4,5-dicarboxylic acid (PubChem CID 174822773) has the molecular formula C8H4N4O8S2 and a molecular weight of 348.27 g/mol. Its IUPAC name is thiadiazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Namethiadiazole-4,5-dicarboxylic acid
PubChem CID174822773
Molecular FormulaC8H4N4O8S2
Molecular Weight348.27 g/mol
Exact Mass347.95
IUPAC Namethiadiazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nnsc1C(=O)O.O=C(O)c1nnsc1C(=O)O
InChIInChI=1S/2C4H2N2O4S/c2*7-3(8)1-2(4(9)10)11-6-5-1/h2*(H,7,8)(H,9,10)
InChIKeyMQZVDMJZSRXOEK-UHFFFAOYSA-N
XLogP-0.13
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of thiadiazole-4,5-dicarboxylic acid?
The IUPAC name of thiadiazole-4,5-dicarboxylic acid (CID 174822773) is thiadiazole-4,5-dicarboxylic acid.
What is the SMILES notation for thiadiazole-4,5-dicarboxylic acid?
The canonical SMILES for thiadiazole-4,5-dicarboxylic acid is O=C(O)c1nnsc1C(=O)O.O=C(O)c1nnsc1C(=O)O.
What is the InChIKey of thiadiazole-4,5-dicarboxylic acid?
The InChIKey is MQZVDMJZSRXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H2N2O4S/c2*7-3(8)1-2(4(9)10)11-6-5-1/h2*(H,7,8)(H,9,10).
What are the key properties of thiadiazole-4,5-dicarboxylic acid?
thiadiazole-4,5-dicarboxylic acid has a molecular weight of 348.27 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazole-4,5-dicarboxylic acid is sourced from PubChem (CID 174822773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).