potassium 2-methylsulfanylpropanoate

C4H7KO2S — CID 88802261

IUPACpotassium 2-methylsulfanylpropanoate
SMILESCSC(C)C(=O)[O-].[K+]
InChIInChI=1S/C4H8O2S.K/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
InChIKeyKIGVFSCBMLMLCX-UHFFFAOYSA-M
MW158.26 g/mol
LogP-3.51
Rot. Bonds2

About potassium 2-methylsulfanylpropanoate

potassium 2-methylsulfanylpropanoate (PubChem CID 88802261) has the molecular formula C4H7KO2S and a molecular weight of 158.26 g/mol. Its IUPAC name is potassium 2-methylsulfanylpropanoate.

Molecular Properties

Compound Namepotassium 2-methylsulfanylpropanoate
PubChem CID88802261
Molecular FormulaC4H7KO2S
Molecular Weight158.26 g/mol
Exact Mass157.98
IUPAC Namepotassium 2-methylsulfanylpropanoate
SMILESCSC(C)C(=O)[O-].[K+]
InChIInChI=1S/C4H8O2S.K/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
InChIKeyKIGVFSCBMLMLCX-UHFFFAOYSA-M
XLogP-3.51
TPSA40.13 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 ≤ 5-3.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris(2-methylsulfanylpropanoate);methyltin(3+)
CID 162043920
disodium;2-(1-carboxylatoethylsulfanyl)propanoate
CID 19787423
potassium 2-hydroxypropanoate
CID 23671663
(2S,3S)-2-hydroxy-3-methylsulfanylbutanedioate
CID 172675806
2-methylsulfanylpropanethioic S-acid
CID 150375573
zinc bis(2-ethylsulfanylpropanoate)
CID 87181649
potassium 2,3-bis(methylsulfanyl)propanoate
CID 140576902
potassium;2-hydroxypropanoate;zirconium
CID 87220091
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
potassium 2-aminopropanoate
CID 21339510
dipotassium;2-sulfidopropanoate
CID 87368929
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylsulfanylpropanoate?
The IUPAC name of potassium 2-methylsulfanylpropanoate (CID 88802261) is potassium 2-methylsulfanylpropanoate.
What is the SMILES notation for potassium 2-methylsulfanylpropanoate?
The canonical SMILES for potassium 2-methylsulfanylpropanoate is CSC(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-methylsulfanylpropanoate?
The InChIKey is KIGVFSCBMLMLCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2S.K/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 2-methylsulfanylpropanoate?
potassium 2-methylsulfanylpropanoate has a molecular weight of 158.26 g/mol, XLogP of -3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylsulfanylpropanoate is sourced from PubChem (CID 88802261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).