potassium N-(2-ethenoxyethyl)carbamodithioate

C5H8KNOS2 — CID 23667475

IUPACpotassium N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)[S-].[K+]
InChIInChI=1S/C5H9NOS2.K/c1-2-7-4-3-6-5(8)9;/h2H,1,3-4H2,(H2,6,8,9);/q;+1/p-1
InChIKeyZJXMIHHWXYKBTE-UHFFFAOYSA-M
MW201.36 g/mol
LogP-2.43
Rot. Bonds4

About potassium N-(2-ethenoxyethyl)carbamodithioate

potassium N-(2-ethenoxyethyl)carbamodithioate (PubChem CID 23667475) has the molecular formula C5H8KNOS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is potassium N-(2-ethenoxyethyl)carbamodithioate.

Molecular Properties

Compound Namepotassium N-(2-ethenoxyethyl)carbamodithioate
PubChem CID23667475
Molecular FormulaC5H8KNOS2
Molecular Weight201.36 g/mol
Exact Mass200.97
IUPAC Namepotassium N-(2-ethenoxyethyl)carbamodithioate
SMILESC=COCCNC(=S)[S-].[K+]
InChIInChI=1S/C5H9NOS2.K/c1-2-7-4-3-6-5(8)9;/h2H,1,3-4H2,(H2,6,8,9);/q;+1/p-1
InChIKeyZJXMIHHWXYKBTE-UHFFFAOYSA-M
XLogP-2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 N-(2-ethenoxyethyl)carbamodithioate?
The IUPAC name of potassium N-(2-ethenoxyethyl)carbamodithioate (CID 23667475) is potassium N-(2-ethenoxyethyl)carbamodithioate.
What is the SMILES notation for potassium N-(2-ethenoxyethyl)carbamodithioate?
The canonical SMILES for potassium N-(2-ethenoxyethyl)carbamodithioate is C=COCCNC(=S)[S-].[K+].
What is the InChIKey of potassium N-(2-ethenoxyethyl)carbamodithioate?
The InChIKey is ZJXMIHHWXYKBTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NOS2.K/c1-2-7-4-3-6-5(8)9;/h2H,1,3-4H2,(H2,6,8,9);/q;+1/p-1.
What are the key properties of potassium N-(2-ethenoxyethyl)carbamodithioate?
potassium N-(2-ethenoxyethyl)carbamodithioate has a molecular weight of 201.36 g/mol, XLogP of -2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-ethenoxyethyl)carbamodithioate is sourced from PubChem (CID 23667475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).