potassium pent-4-enoxymethanedithioate

C6H9KOS2 — CID 134878474

IUPACpotassium pent-4-enoxymethanedithioate
SMILESC=CCCCOC(=S)[S-].[K+]
InChIInChI=1S/C6H10OS2.K/c1-2-3-4-5-7-6(8)9;/h2H,1,3-5H2,(H,8,9);/q;+1/p-1
InChIKeyOUKWRQJLJJFMSX-UHFFFAOYSA-M
MW200.37 g/mol
LogP-1.20
Rot. Bonds4

About potassium pent-4-enoxymethanedithioate

potassium pent-4-enoxymethanedithioate (PubChem CID 134878474) has the molecular formula C6H9KOS2 and a molecular weight of 200.37 g/mol. Its IUPAC name is potassium pent-4-enoxymethanedithioate.

Molecular Properties

Compound Namepotassium pent-4-enoxymethanedithioate
PubChem CID134878474
Molecular FormulaC6H9KOS2
Molecular Weight200.37 g/mol
Exact Mass199.97
IUPAC Namepotassium pent-4-enoxymethanedithioate
SMILESC=CCCCOC(=S)[S-].[K+]
InChIInChI=1S/C6H10OS2.K/c1-2-3-4-5-7-6(8)9;/h2H,1,3-5H2,(H,8,9);/q;+1/p-1
InChIKeyOUKWRQJLJJFMSX-UHFFFAOYSA-M
XLogP-1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 pent-4-enoxymethanedithioate?
The IUPAC name of potassium pent-4-enoxymethanedithioate (CID 134878474) is potassium pent-4-enoxymethanedithioate.
What is the SMILES notation for potassium pent-4-enoxymethanedithioate?
The canonical SMILES for potassium pent-4-enoxymethanedithioate is C=CCCCOC(=S)[S-].[K+].
What is the InChIKey of potassium pent-4-enoxymethanedithioate?
The InChIKey is OUKWRQJLJJFMSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10OS2.K/c1-2-3-4-5-7-6(8)9;/h2H,1,3-5H2,(H,8,9);/q;+1/p-1.
What are the key properties of potassium pent-4-enoxymethanedithioate?
potassium pent-4-enoxymethanedithioate has a molecular weight of 200.37 g/mol, XLogP of -1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pent-4-enoxymethanedithioate is sourced from PubChem (CID 134878474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).