potassium tert-butylsulfanylmethanedithioic acid

C5H10KS3+ — CID 54601072

IUPACpotassium tert-butylsulfanylmethanedithioic acid
SMILESCC(C)(C)SC(=S)S.[K+]
InChIInChI=1S/C5H10S3.K/c1-5(2,3)8-4(6)7;/h1-3H3,(H,6,7);/q;+1
InChIKeyDDMXZGYGTCCBQS-UHFFFAOYSA-N
MW205.43 g/mol
LogP-0.26
Rot. Bonds

About potassium tert-butylsulfanylmethanedithioic acid

potassium tert-butylsulfanylmethanedithioic acid (PubChem CID 54601072) has the molecular formula C5H10KS3+ and a molecular weight of 205.43 g/mol. Its IUPAC name is potassium tert-butylsulfanylmethanedithioic acid.

Molecular Properties

Compound Namepotassium tert-butylsulfanylmethanedithioic acid
PubChem CID54601072
Molecular FormulaC5H10KS3+
Molecular Weight205.43 g/mol
Exact Mass204.96
IUPAC Namepotassium tert-butylsulfanylmethanedithioic acid
SMILESCC(C)(C)SC(=S)S.[K+]
InChIInChI=1S/C5H10S3.K/c1-5(2,3)8-4(6)7;/h1-3H3,(H,6,7);/q;+1
InChIKeyDDMXZGYGTCCBQS-UHFFFAOYSA-N
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium tert-butylsulfanylmethanedithioic acid 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 tert-butylsulfanylmethanedithioic acid?
The IUPAC name of potassium tert-butylsulfanylmethanedithioic acid (CID 54601072) is potassium tert-butylsulfanylmethanedithioic acid.
What is the SMILES notation for potassium tert-butylsulfanylmethanedithioic acid?
The canonical SMILES for potassium tert-butylsulfanylmethanedithioic acid is CC(C)(C)SC(=S)S.[K+].
What is the InChIKey of potassium tert-butylsulfanylmethanedithioic acid?
The InChIKey is DDMXZGYGTCCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S3.K/c1-5(2,3)8-4(6)7;/h1-3H3,(H,6,7);/q;+1.
What are the key properties of potassium tert-butylsulfanylmethanedithioic acid?
potassium tert-butylsulfanylmethanedithioic acid has a molecular weight of 205.43 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tert-butylsulfanylmethanedithioic acid is sourced from PubChem (CID 54601072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).