potassium 2-aminoethanethioate

C2H4KNOS — CID 155674120

IUPACpotassium 2-aminoethanethioate
SMILESNCC([O-])=S.[K+]
InChIInChI=1S/C2H5NOS.K/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1
InChIKeyWVNUAXWDZCDWHG-UHFFFAOYSA-M
MW129.22 g/mol
LogP-4.36
Rot. Bonds1

About potassium 2-aminoethanethioate

potassium 2-aminoethanethioate (PubChem CID 155674120) has the molecular formula C2H4KNOS and a molecular weight of 129.22 g/mol. Its IUPAC name is potassium 2-aminoethanethioate.

Molecular Properties

Compound Namepotassium 2-aminoethanethioate
PubChem CID155674120
Molecular FormulaC2H4KNOS
Molecular Weight129.22 g/mol
Exact Mass128.97
IUPAC Namepotassium 2-aminoethanethioate
SMILESNCC([O-])=S.[K+]
InChIInChI=1S/C2H5NOS.K/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1
InChIKeyWVNUAXWDZCDWHG-UHFFFAOYSA-M
XLogP-4.36
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.22
LogP ≤ 5-4.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanethioyl chloride
CID 123300294
O-methyl 2-aminoethanethioate
CID 140974503
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
aluminum tris(2-aminoacetate)
CID 6452712
copper;aminomethanol;carbonate
CID 23118320
bis(ethane-1,2-diamine);oxalate;platinum(2+)
CID 175317539
copper;bis(2-aminoacetate);hydrate
CID 139067245
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538

Frequently Asked Questions

What is the IUPAC name of potassium 2-aminoethanethioate?
The IUPAC name of potassium 2-aminoethanethioate (CID 155674120) is potassium 2-aminoethanethioate.
What is the SMILES notation for potassium 2-aminoethanethioate?
The canonical SMILES for potassium 2-aminoethanethioate is NCC([O-])=S.[K+].
What is the InChIKey of potassium 2-aminoethanethioate?
The InChIKey is WVNUAXWDZCDWHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NOS.K/c3-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1.
What are the key properties of potassium 2-aminoethanethioate?
potassium 2-aminoethanethioate has a molecular weight of 129.22 g/mol, XLogP of -4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminoethanethioate is sourced from PubChem (CID 155674120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).