potassium propoxymethanethioate

C4H7KO2S — CID 163623906

IUPACpotassium propoxymethanethioate
SMILESCCCOC([O-])=S.[K+]
InChIInChI=1S/C4H8O2S.K/c1-2-3-6-4(5)7;/h2-3H2,1H3,(H,5,7);/q;+1/p-1
InChIKeyHQLXDDZNJUCPPO-UHFFFAOYSA-M
MW158.26 g/mol
LogP-2.94
Rot. Bonds2

About potassium propoxymethanethioate

potassium propoxymethanethioate (PubChem CID 163623906) has the molecular formula C4H7KO2S and a molecular weight of 158.26 g/mol. Its IUPAC name is potassium propoxymethanethioate.

Molecular Properties

Compound Namepotassium propoxymethanethioate
PubChem CID163623906
Molecular FormulaC4H7KO2S
Molecular Weight158.26 g/mol
Exact Mass157.98
IUPAC Namepotassium propoxymethanethioate
SMILESCCCOC([O-])=S.[K+]
InChIInChI=1S/C4H8O2S.K/c1-2-3-6-4(5)7;/h2-3H2,1H3,(H,5,7);/q;+1/p-1
InChIKeyHQLXDDZNJUCPPO-UHFFFAOYSA-M
XLogP-2.94
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-propyl propanethioate
CID 15820857
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
O-propyl hexanethioate
CID 139806160
calcium propyl carbonate
CID 158672692
magnesium propyl carbonate
CID 22154995
calcium bis(propoxymethanedithioate)
CID 88779396
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
O-propyl 4-aminobutanethioate
CID 91418071
O-propyl N-methylcarbamothioate
CID 5365293
3-oxo-3-propoxypropanoate
CID 71358122
butane;methane;O-propyl methylsulfanylmethanethioate
CID 162154177
butane;3-oxo-3-propoxypropanoate
CID 22486022

Frequently Asked Questions

What is the IUPAC name of potassium propoxymethanethioate?
The IUPAC name of potassium propoxymethanethioate (CID 163623906) is potassium propoxymethanethioate.
What is the SMILES notation for potassium propoxymethanethioate?
The canonical SMILES for potassium propoxymethanethioate is CCCOC([O-])=S.[K+].
What is the InChIKey of potassium propoxymethanethioate?
The InChIKey is HQLXDDZNJUCPPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2S.K/c1-2-3-6-4(5)7;/h2-3H2,1H3,(H,5,7);/q;+1/p-1.
What are the key properties of potassium propoxymethanethioate?
potassium propoxymethanethioate has a molecular weight of 158.26 g/mol, XLogP of -2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium propoxymethanethioate is sourced from PubChem (CID 163623906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).