Potassium 3-sulfolanyldithiocarbamate

C5H9KNO2S3 — CID 6336046

IUPAC—
SMILESO=S1(=O)CCC(NC(=S)S)C1.[K]
InChIInChI=1S/C5H9NO2S3.K/c7-11(8)2-1-4(3-11)6-5(9)10;/h4H,1-3H2,(H2,6,9,10);
InChIKeyKSFPXUIQIOSHBI-UHFFFAOYSA-N
MW250.43 g/mol
LogP-0.40
Rot. Bonds1

About Potassium 3-sulfolanyldithiocarbamate

Potassium 3-sulfolanyldithiocarbamate (PubChem CID 6336046) has the molecular formula C5H9KNO2S3 and a molecular weight of 250.43 g/mol.

Molecular Properties

Compound NamePotassium 3-sulfolanyldithiocarbamate
PubChem CID6336046
Molecular FormulaC5H9KNO2S3
Molecular Weight250.43 g/mol
Exact Mass249.94
IUPAC Name—
SMILESO=S1(=O)CCC(NC(=S)S)C1.[K]
InChIInChI=1S/C5H9NO2S3.K/c7-11(8)2-1-4(3-11)6-5(9)10;/h4H,1-3H2,(H2,6,9,10);
InChIKeyKSFPXUIQIOSHBI-UHFFFAOYSA-N
XLogP-0.40
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Potassium 3-sulfolanyldithiocarbamate?
The IUPAC name of Potassium 3-sulfolanyldithiocarbamate (CID 6336046) is not available.
What is the SMILES notation for Potassium 3-sulfolanyldithiocarbamate?
The canonical SMILES for Potassium 3-sulfolanyldithiocarbamate is O=S1(=O)CCC(NC(=S)S)C1.[K].
What is the InChIKey of Potassium 3-sulfolanyldithiocarbamate?
The InChIKey is KSFPXUIQIOSHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S3.K/c7-11(8)2-1-4(3-11)6-5(9)10;/h4H,1-3H2,(H2,6,9,10);.
What are the key properties of Potassium 3-sulfolanyldithiocarbamate?
Potassium 3-sulfolanyldithiocarbamate has a molecular weight of 250.43 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium 3-sulfolanyldithiocarbamate is sourced from PubChem (CID 6336046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).