potassium 1,3-benzothiazol-3-ide-2-thione

C7H4KNS2 — CID 23686450

IUPACpotassium 1,3-benzothiazol-3-ide-2-thione
SMILESS=c1[n-]c2ccccc2s1.[K+]
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-0.41
Rot. Bonds

About potassium 1,3-benzothiazol-3-ide-2-thione

potassium 1,3-benzothiazol-3-ide-2-thione (PubChem CID 23686450) has the molecular formula C7H4KNS2 and a molecular weight of 205.35 g/mol. Its IUPAC name is potassium 1,3-benzothiazol-3-ide-2-thione.

Molecular Properties

Compound Namepotassium 1,3-benzothiazol-3-ide-2-thione
PubChem CID23686450
Molecular FormulaC7H4KNS2
Molecular Weight205.35 g/mol
Exact Mass204.94
IUPAC Namepotassium 1,3-benzothiazol-3-ide-2-thione
SMILESS=c1[n-]c2ccccc2s1.[K+]
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-0.41
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium 1,3-benzothiazol-3-ide-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 1,3-benzothiazol-3-ide-2-thione?
The IUPAC name of potassium 1,3-benzothiazol-3-ide-2-thione (CID 23686450) is potassium 1,3-benzothiazol-3-ide-2-thione.
What is the SMILES notation for potassium 1,3-benzothiazol-3-ide-2-thione?
The canonical SMILES for potassium 1,3-benzothiazol-3-ide-2-thione is S=c1[n-]c2ccccc2s1.[K+].
What is the InChIKey of potassium 1,3-benzothiazol-3-ide-2-thione?
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-benzothiazol-3-ide-2-thione?
potassium 1,3-benzothiazol-3-ide-2-thione has a molecular weight of 205.35 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-benzothiazol-3-ide-2-thione is sourced from PubChem (CID 23686450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).