potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate

C4H3KN2O5S — CID 23664354

IUPACpotassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate
SMILESO.O=C([O-])c1nsnc1C(=O)O.[K+]
InChIInChI=1S/C4H2N2O4S.K.H2O/c7-3(8)1-2(4(9)10)6-11-5-1;;/h(H,7,8)(H,9,10);;1H2/q;+1;/p-1
InChIKeyBJIVBBVMSPGUDU-UHFFFAOYSA-M
MW230.24 g/mol
LogP-5.22
Rot. Bonds2

About potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate

potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate (PubChem CID 23664354) has the molecular formula C4H3KN2O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate.

Molecular Properties

Compound Namepotassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate
PubChem CID23664354
Molecular FormulaC4H3KN2O5S
Molecular Weight230.24 g/mol
Exact Mass229.94
IUPAC Namepotassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate
SMILESO.O=C([O-])c1nsnc1C(=O)O.[K+]
InChIInChI=1S/C4H2N2O4S.K.H2O/c7-3(8)1-2(4(9)10)6-11-5-1;;/h(H,7,8)(H,9,10);;1H2/q;+1;/p-1
InChIKeyBJIVBBVMSPGUDU-UHFFFAOYSA-M
XLogP-5.22
TPSA134.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-5.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate?
The IUPAC name of potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate (CID 23664354) is potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate.
What is the SMILES notation for potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate?
The canonical SMILES for potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate is O.O=C([O-])c1nsnc1C(=O)O.[K+].
What is the InChIKey of potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate?
The InChIKey is BJIVBBVMSPGUDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2N2O4S.K.H2O/c7-3(8)1-2(4(9)10)6-11-5-1;;/h(H,7,8)(H,9,10);;1H2/q;+1;/p-1.
What are the key properties of potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate?
potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate has a molecular weight of 230.24 g/mol, XLogP of -5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate is sourced from PubChem (CID 23664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).