potassium 1,3-benzothiazole-2-carboxylate

C8H4KNO2S — CID 23671842

IUPACpotassium 1,3-benzothiazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2s1.[K+]
InChIInChI=1S/C8H5NO2S.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1
InChIKeyZIFBPZXPKIMAML-UHFFFAOYSA-M
MW217.29 g/mol
LogP-2.34
Rot. Bonds1

About potassium 1,3-benzothiazole-2-carboxylate

potassium 1,3-benzothiazole-2-carboxylate (PubChem CID 23671842) has the molecular formula C8H4KNO2S and a molecular weight of 217.29 g/mol. Its IUPAC name is potassium 1,3-benzothiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 1,3-benzothiazole-2-carboxylate
PubChem CID23671842
Molecular FormulaC8H4KNO2S
Molecular Weight217.29 g/mol
Exact Mass216.96
IUPAC Namepotassium 1,3-benzothiazole-2-carboxylate
SMILESO=C([O-])c1nc2ccccc2s1.[K+]
InChIInChI=1S/C8H5NO2S.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1
InChIKeyZIFBPZXPKIMAML-UHFFFAOYSA-M
XLogP-2.34
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-benzothiazole-2-carboxylate?
The IUPAC name of potassium 1,3-benzothiazole-2-carboxylate (CID 23671842) is potassium 1,3-benzothiazole-2-carboxylate.
What is the SMILES notation for potassium 1,3-benzothiazole-2-carboxylate?
The canonical SMILES for potassium 1,3-benzothiazole-2-carboxylate is O=C([O-])c1nc2ccccc2s1.[K+].
What is the InChIKey of potassium 1,3-benzothiazole-2-carboxylate?
The InChIKey is ZIFBPZXPKIMAML-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5NO2S.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 1,3-benzothiazole-2-carboxylate?
potassium 1,3-benzothiazole-2-carboxylate has a molecular weight of 217.29 g/mol, XLogP of -2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-benzothiazole-2-carboxylate is sourced from PubChem (CID 23671842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).