potassium 1,3-benzothiazole-2-thiolate

C7H4KNS2 — CID 23679264

IUPACpotassium 1,3-benzothiazole-2-thiolate
SMILES[K+].[S-]c1nc2ccccc2s1
InChIInChI=1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKeyZKTKNAXWCMIKLK-UHFFFAOYSA-M
MW205.35 g/mol
LogP-0.79
Rot. Bonds

About potassium 1,3-benzothiazole-2-thiolate

potassium 1,3-benzothiazole-2-thiolate (PubChem CID 23679264) has the molecular formula C7H4KNS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is potassium 1,3-benzothiazole-2-thiolate.

Molecular Properties

Compound Namepotassium 1,3-benzothiazole-2-thiolate
PubChem CID23679264
Molecular FormulaC7H4KNS2
Molecular Weight205.35 g/mol
Exact Mass204.94
IUPAC Namepotassium 1,3-benzothiazole-2-thiolate
SMILES[K+].[S-]c1nc2ccccc2s1
InChIInChI=1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKeyZKTKNAXWCMIKLK-UHFFFAOYSA-M
XLogP-0.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-benzothiazole-2-thiolate?
The IUPAC name of potassium 1,3-benzothiazole-2-thiolate (CID 23679264) is potassium 1,3-benzothiazole-2-thiolate.
What is the SMILES notation for potassium 1,3-benzothiazole-2-thiolate?
The canonical SMILES for potassium 1,3-benzothiazole-2-thiolate is [K+].[S-]c1nc2ccccc2s1.
What is the InChIKey of potassium 1,3-benzothiazole-2-thiolate?
The InChIKey is ZKTKNAXWCMIKLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NS2.K/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);/q;+1/p-1.
What are the key properties of potassium 1,3-benzothiazole-2-thiolate?
potassium 1,3-benzothiazole-2-thiolate has a molecular weight of 205.35 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-benzothiazole-2-thiolate is sourced from PubChem (CID 23679264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).