potassium ethylsulfanyl carbonate

C3H5KO3S — CID 23686326

IUPACpotassium ethylsulfanyl carbonate
SMILESCCSOC(=O)[O-].[K+]
InChIInChI=1S/C3H6O3S.K/c1-2-7-6-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyMJKILGOYUWTMRN-UHFFFAOYSA-M
MW160.23 g/mol
LogP-2.98
Rot. Bonds2

About potassium ethylsulfanyl carbonate

potassium ethylsulfanyl carbonate (PubChem CID 23686326) has the molecular formula C3H5KO3S and a molecular weight of 160.23 g/mol. Its IUPAC name is potassium ethylsulfanyl carbonate.

Molecular Properties

Compound Namepotassium ethylsulfanyl carbonate
PubChem CID23686326
Molecular FormulaC3H5KO3S
Molecular Weight160.23 g/mol
Exact Mass159.96
IUPAC Namepotassium ethylsulfanyl carbonate
SMILESCCSOC(=O)[O-].[K+]
InChIInChI=1S/C3H6O3S.K/c1-2-7-6-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyMJKILGOYUWTMRN-UHFFFAOYSA-M
XLogP-2.98
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 5-2.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethylsulfanyl N-carbamoylcarbamate
CID 87478497
ethylsulfanyloxy-hydroxy-oxophosphanium
CID 90042478
potassium 2-ethoxy-2-oxoacetate
CID 23678856
propanoate;rubidium(1+)
CID 23716263
CID 57352970
CID 57352970
propanoate;uranium(4+)
CID 51035197
propanoate;hydrate
CID 19032208
propanoate;tin(4+)
CID 167712674
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
CID 88778777
trisodium;propanoate
CID 86625665
indium(1+);propanoate
CID 101213769

Frequently Asked Questions

What is the IUPAC name of potassium ethylsulfanyl carbonate?
The IUPAC name of potassium ethylsulfanyl carbonate (CID 23686326) is potassium ethylsulfanyl carbonate.
What is the SMILES notation for potassium ethylsulfanyl carbonate?
The canonical SMILES for potassium ethylsulfanyl carbonate is CCSOC(=O)[O-].[K+].
What is the InChIKey of potassium ethylsulfanyl carbonate?
The InChIKey is MJKILGOYUWTMRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.K/c1-2-7-6-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of potassium ethylsulfanyl carbonate?
potassium ethylsulfanyl carbonate has a molecular weight of 160.23 g/mol, XLogP of -2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethylsulfanyl carbonate is sourced from PubChem (CID 23686326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).