potassium 2-methylsulfanylethanethiolate

C3H7KS2 — CID 101442184

IUPACpotassium 2-methylsulfanylethanethiolate
SMILESCSCC[S-].[K+]
InChIInChI=1S/C3H8S2.K/c1-5-3-2-4;/h4H,2-3H2,1H3;/q;+1/p-1
InChIKeyLUOVUWNRSRRNFX-UHFFFAOYSA-M
MW146.32 g/mol
LogP-2.10
Rot. Bonds2

About potassium 2-methylsulfanylethanethiolate

potassium 2-methylsulfanylethanethiolate (PubChem CID 101442184) has the molecular formula C3H7KS2 and a molecular weight of 146.32 g/mol. Its IUPAC name is potassium 2-methylsulfanylethanethiolate.

Molecular Properties

Compound Namepotassium 2-methylsulfanylethanethiolate
PubChem CID101442184
Molecular FormulaC3H7KS2
Molecular Weight146.32 g/mol
Exact Mass145.96
IUPAC Namepotassium 2-methylsulfanylethanethiolate
SMILESCSCC[S-].[K+]
InChIInChI=1S/C3H8S2.K/c1-5-3-2-4;/h4H,2-3H2,1H3;/q;+1/p-1
InChIKeyLUOVUWNRSRRNFX-UHFFFAOYSA-M
XLogP-2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.32
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58608466
CID 58608466
dimethoxymethane;methane;1-methylsulfanylpropane
CID 159739750
methanol;2-methylsulfanylethanamine
CID 159726964
ethane;methanamine;1-methylsulfanylpropane
CID 143338871
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
N-methyl-2-methylsulfanyl-N-(2-methylsulfanylethyl)ethanamine
CID 72665446
1-chloro-3-methylsulfanylpropane
CID 12690295
trimethyl(2-methylsulfanylethyl)azanium chloride
CID 88852925
1,1-dichloro-3-methylsulfanylpropane
CID 119095673
2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
CID 101181083
22-methylsulfanyldocosane-1-thiol
CID 153338809
methane;1-methylsulfanyloctadecane
CID 167697996

Frequently Asked Questions

What is the IUPAC name of potassium 2-methylsulfanylethanethiolate?
The IUPAC name of potassium 2-methylsulfanylethanethiolate (CID 101442184) is potassium 2-methylsulfanylethanethiolate.
What is the SMILES notation for potassium 2-methylsulfanylethanethiolate?
The canonical SMILES for potassium 2-methylsulfanylethanethiolate is CSCC[S-].[K+].
What is the InChIKey of potassium 2-methylsulfanylethanethiolate?
The InChIKey is LUOVUWNRSRRNFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8S2.K/c1-5-3-2-4;/h4H,2-3H2,1H3;/q;+1/p-1.
What are the key properties of potassium 2-methylsulfanylethanethiolate?
potassium 2-methylsulfanylethanethiolate has a molecular weight of 146.32 g/mol, XLogP of -2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylsulfanylethanethiolate is sourced from PubChem (CID 101442184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).