potassium pyrrolidine-1-carbodithioate

C5H8KNS2 — CID 23705233

IUPACpotassium pyrrolidine-1-carbodithioate
SMILESS=C([S-])N1CCCC1.[K+]
InChIInChI=1S/C5H9NS2.K/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1
InChIKeyUQMCOYHFRAOLIB-UHFFFAOYSA-M
MW185.36 g/mol
LogP-2.08
Rot. Bonds

About potassium pyrrolidine-1-carbodithioate

potassium pyrrolidine-1-carbodithioate (PubChem CID 23705233) has the molecular formula C5H8KNS2 and a molecular weight of 185.36 g/mol. Its IUPAC name is potassium pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Namepotassium pyrrolidine-1-carbodithioate
PubChem CID23705233
Molecular FormulaC5H8KNS2
Molecular Weight185.36 g/mol
Exact Mass184.97
IUPAC Namepotassium pyrrolidine-1-carbodithioate
SMILESS=C([S-])N1CCCC1.[K+]
InChIInChI=1S/C5H9NS2.K/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1
InChIKeyUQMCOYHFRAOLIB-UHFFFAOYSA-M
XLogP-2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.36
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium pyrrolidine-1-carbodithioate?
The IUPAC name of potassium pyrrolidine-1-carbodithioate (CID 23705233) is potassium pyrrolidine-1-carbodithioate.
What is the SMILES notation for potassium pyrrolidine-1-carbodithioate?
The canonical SMILES for potassium pyrrolidine-1-carbodithioate is S=C([S-])N1CCCC1.[K+].
What is the InChIKey of potassium pyrrolidine-1-carbodithioate?
The InChIKey is UQMCOYHFRAOLIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NS2.K/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);/q;+1/p-1.
What are the key properties of potassium pyrrolidine-1-carbodithioate?
potassium pyrrolidine-1-carbodithioate has a molecular weight of 185.36 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pyrrolidine-1-carbodithioate is sourced from PubChem (CID 23705233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).