potassium 3-methylbenzenethiol

C7H8KS+ — CID 21119024

IUPACpotassium 3-methylbenzenethiol
SMILESCc1cccc(S)c1.[K+]
InChIInChI=1S/C7H8S.K/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1
InChIKeyTURKZNYXAUUTTQ-UHFFFAOYSA-N
MW163.31 g/mol
LogP-0.71
Rot. Bonds

About potassium 3-methylbenzenethiol

potassium 3-methylbenzenethiol (PubChem CID 21119024) has the molecular formula C7H8KS+ and a molecular weight of 163.31 g/mol. Its IUPAC name is potassium 3-methylbenzenethiol.

Molecular Properties

Compound Namepotassium 3-methylbenzenethiol
PubChem CID21119024
Molecular FormulaC7H8KS+
Molecular Weight163.31 g/mol
Exact Mass163.00
IUPAC Namepotassium 3-methylbenzenethiol
SMILESCc1cccc(S)c1.[K+]
InChIInChI=1S/C7H8S.K/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1
InChIKeyTURKZNYXAUUTTQ-UHFFFAOYSA-N
XLogP-0.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 3-methylbenzenethiol?
The IUPAC name of potassium 3-methylbenzenethiol (CID 21119024) is potassium 3-methylbenzenethiol.
What is the SMILES notation for potassium 3-methylbenzenethiol?
The canonical SMILES for potassium 3-methylbenzenethiol is Cc1cccc(S)c1.[K+].
What is the InChIKey of potassium 3-methylbenzenethiol?
The InChIKey is TURKZNYXAUUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.K/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1.
What are the key properties of potassium 3-methylbenzenethiol?
potassium 3-methylbenzenethiol has a molecular weight of 163.31 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methylbenzenethiol is sourced from PubChem (CID 21119024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).