potassium 2-acetamidoethylsulfanylmethanedithioate

C5H8KNOS3 — CID 23682911

IUPACpotassium 2-acetamidoethylsulfanylmethanedithioate
SMILESCC(=O)NCCSC(=S)[S-].[K+]
InChIInChI=1S/C5H9NOS3.K/c1-4(7)6-2-3-10-5(8)9;/h2-3H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyHTLDNXCXRGLVOK-UHFFFAOYSA-M
MW233.42 g/mol
LogP-2.31
Rot. Bonds3

About potassium 2-acetamidoethylsulfanylmethanedithioate

potassium 2-acetamidoethylsulfanylmethanedithioate (PubChem CID 23682911) has the molecular formula C5H8KNOS3 and a molecular weight of 233.42 g/mol. Its IUPAC name is potassium 2-acetamidoethylsulfanylmethanedithioate.

Molecular Properties

Compound Namepotassium 2-acetamidoethylsulfanylmethanedithioate
PubChem CID23682911
Molecular FormulaC5H8KNOS3
Molecular Weight233.42 g/mol
Exact Mass232.94
IUPAC Namepotassium 2-acetamidoethylsulfanylmethanedithioate
SMILESCC(=O)NCCSC(=S)[S-].[K+]
InChIInChI=1S/C5H9NOS3.K/c1-4(7)6-2-3-10-5(8)9;/h2-3H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1
InChIKeyHTLDNXCXRGLVOK-UHFFFAOYSA-M
XLogP-2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-acetamidoethylsulfanylmethanedithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
S-(2-acetamidoethyl) 5-oxohexanethioate
CID 125498006
2-acetamidoethyl N'-aminocarbamimidothioate
CID 77060911
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
S-(2-acetamidoethyl) 8-aminooctanethioate
CID 155119307
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 146329372
N-[2-(3-phosphanyloxypropyldisulfanyl)ethyl]acetamide
CID 176611212
S-(2-acetamidoethyl) 8-(methoxycarbonylamino)octanethioate
CID 123548904
S-(2-acetamidoethyl) 2-acetylpent-4-ynethioate
CID 102430984
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787

Frequently Asked Questions

What is the IUPAC name of potassium 2-acetamidoethylsulfanylmethanedithioate?
The IUPAC name of potassium 2-acetamidoethylsulfanylmethanedithioate (CID 23682911) is potassium 2-acetamidoethylsulfanylmethanedithioate.
What is the SMILES notation for potassium 2-acetamidoethylsulfanylmethanedithioate?
The canonical SMILES for potassium 2-acetamidoethylsulfanylmethanedithioate is CC(=O)NCCSC(=S)[S-].[K+].
What is the InChIKey of potassium 2-acetamidoethylsulfanylmethanedithioate?
The InChIKey is HTLDNXCXRGLVOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NOS3.K/c1-4(7)6-2-3-10-5(8)9;/h2-3H2,1H3,(H,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of potassium 2-acetamidoethylsulfanylmethanedithioate?
potassium 2-acetamidoethylsulfanylmethanedithioate has a molecular weight of 233.42 g/mol, XLogP of -2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-acetamidoethylsulfanylmethanedithioate is sourced from PubChem (CID 23682911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).