potassium benzenethiol

C6H6KS+ — CID 21480154

IUPACpotassium benzenethiol
SMILESSc1ccccc1.[K+]
InChIInChI=1S/C6H6S.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1
InChIKeyOALPPYUMFWGHEK-UHFFFAOYSA-N
MW149.28 g/mol
LogP-1.02
Rot. Bonds

About potassium benzenethiol

potassium benzenethiol (PubChem CID 21480154) has the molecular formula C6H6KS+ and a molecular weight of 149.28 g/mol. Its IUPAC name is potassium benzenethiol.

Molecular Properties

Compound Namepotassium benzenethiol
PubChem CID21480154
Molecular FormulaC6H6KS+
Molecular Weight149.28 g/mol
Exact Mass148.98
IUPAC Namepotassium benzenethiol
SMILESSc1ccccc1.[K+]
InChIInChI=1S/C6H6S.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1
InChIKeyOALPPYUMFWGHEK-UHFFFAOYSA-N
XLogP-1.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

potassium;benzenethiol;hydride
CID 173102690
CID 175237801
CID 175237801
benzenethiol;palladium
CID 174858615
magnesium;benzenethiol;hydride
CID 173349769
benzenethiol;methanamine
CID 174416805
benzenethiol;dioxotitanium
CID 174468726
benzenethiol;sulfur dioxide
CID 67056260
benzenethiol;chlorobenzene
CID 158473676
CID 172858912
CID 172858912
benzenethiol;butane;hydrate
CID 174869376
benzenethiol;ethane;4-methylbenzenethiol
CID 144560916
CID 21119592
CID 21119592

Frequently Asked Questions

What is the IUPAC name of potassium benzenethiol?
The IUPAC name of potassium benzenethiol (CID 21480154) is potassium benzenethiol.
What is the SMILES notation for potassium benzenethiol?
The canonical SMILES for potassium benzenethiol is Sc1ccccc1.[K+].
What is the InChIKey of potassium benzenethiol?
The InChIKey is OALPPYUMFWGHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.K/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1.
What are the key properties of potassium benzenethiol?
potassium benzenethiol has a molecular weight of 149.28 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium benzenethiol is sourced from PubChem (CID 21480154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).