dipotassium;4-oxo-4-sulfidobutanoate

C4H4K2O3S — CID 87135702

IUPACdipotassium;4-oxo-4-sulfidobutanoate
SMILESO=C([O-])CCC(=O)[S-].[K+].[K+]
InChIInChI=1S/C4H6O3S.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyMWSSRMDUWNCABS-UHFFFAOYSA-L
MW210.34 g/mol
LogP-7.40
Rot. Bonds3

About dipotassium;4-oxo-4-sulfidobutanoate

dipotassium;4-oxo-4-sulfidobutanoate (PubChem CID 87135702) has the molecular formula C4H4K2O3S and a molecular weight of 210.34 g/mol. Its IUPAC name is dipotassium;4-oxo-4-sulfidobutanoate.

Molecular Properties

Compound Namedipotassium;4-oxo-4-sulfidobutanoate
PubChem CID87135702
Molecular FormulaC4H4K2O3S
Molecular Weight210.34 g/mol
Exact Mass209.92
IUPAC Namedipotassium;4-oxo-4-sulfidobutanoate
SMILESO=C([O-])CCC(=O)[S-].[K+].[K+]
InChIInChI=1S/C4H6O3S.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2
InChIKeyMWSSRMDUWNCABS-UHFFFAOYSA-L
XLogP-7.40
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 5-7.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipotassium;4-oxo-4-sulfidobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(butanedioate);osmium(4+)
CID 159559487
copper;zinc;bis(butanedioate)
CID 159835693
azanium;lithium;butanedioate
CID 18352245
strontium 2-oxopentanedioate
CID 11276308
zinc 2-oxopentanedioate
CID 10236089
4-oxoheptanedioate
CID 6995280
disodium;butanedioate;methanol
CID 160588999
butanedioate;propanedioate
CID 18423363
dipotassium;butanedioate;butanedioic acid;hydrate
CID 174286675
dipotassium;octadecanedioate
CID 141466899
disodium;acetic acid;butanedioate
CID 173373024
tetrapotassium;butanoate
CID 140982885

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-oxo-4-sulfidobutanoate?
The IUPAC name of dipotassium;4-oxo-4-sulfidobutanoate (CID 87135702) is dipotassium;4-oxo-4-sulfidobutanoate.
What is the SMILES notation for dipotassium;4-oxo-4-sulfidobutanoate?
The canonical SMILES for dipotassium;4-oxo-4-sulfidobutanoate is O=C([O-])CCC(=O)[S-].[K+].[K+].
What is the InChIKey of dipotassium;4-oxo-4-sulfidobutanoate?
The InChIKey is MWSSRMDUWNCABS-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O3S.2K/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2.
What are the key properties of dipotassium;4-oxo-4-sulfidobutanoate?
dipotassium;4-oxo-4-sulfidobutanoate has a molecular weight of 210.34 g/mol, XLogP of -7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-oxo-4-sulfidobutanoate is sourced from PubChem (CID 87135702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).