potassium;5-(dithiolan-3-yl)pentanoic acid;hydride

C8H15KO2S2 — CID 174478927

IUPACpotassium;5-(dithiolan-3-yl)pentanoic acid;hydride
SMILESO=C(O)CCCCC1CCSS1.[H-].[K+]
InChIInChI=1S/C8H14O2S2.K.H/c9-8(10)4-2-1-3-7-5-6-11-12-7;;/h7H,1-6H2,(H,9,10);;/q;+1;-1
InChIKeyIGLMMSBDWRHKRR-UHFFFAOYSA-N
MW246.44 g/mol
LogP-0.10
Rot. Bonds5

About potassium;5-(dithiolan-3-yl)pentanoic acid;hydride

potassium;5-(dithiolan-3-yl)pentanoic acid;hydride (PubChem CID 174478927) has the molecular formula C8H15KO2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is potassium;5-(dithiolan-3-yl)pentanoic acid;hydride.

Molecular Properties

Compound Namepotassium;5-(dithiolan-3-yl)pentanoic acid;hydride
PubChem CID174478927
Molecular FormulaC8H15KO2S2
Molecular Weight246.44 g/mol
Exact Mass246.02
IUPAC Namepotassium;5-(dithiolan-3-yl)pentanoic acid;hydride
SMILESO=C(O)CCCCC1CCSS1.[H-].[K+]
InChIInChI=1S/C8H14O2S2.K.H/c9-8(10)4-2-1-3-7-5-6-11-12-7;;/h7H,1-6H2,(H,9,10);;/q;+1;-1
InChIKeyIGLMMSBDWRHKRR-UHFFFAOYSA-N
XLogP-0.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium;5-(dithiolan-3-yl)pentanoic acid;hydride 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

5-(dithiolan-3-yl)pentanoic acid;hydrochloride
CID 87930761
4-(dithiolan-3-yl)butanoic acid
CID 20608098
copper;acetic acid;bis(5-(dithiolan-3-yl)pentanoic acid)
CID 10119482
2-(2-aminoethyl)guanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 175206792
sodium 5-[(3S)-dithiolan-3-yl]pentanoate
CID 23693625
(2,5-dioxopyrrolidin-1-yl) 5-[(3R)-dithiolan-3-yl]pentanoate;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 160993405
4-[1-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]-4-oxobutanoic acid
CID 170171605
5-(dithiolan-3-yl)-N-iodopentanamide
CID 90260241
5-(dithiolan-3-yl)-1-pyrrolidin-1-ylpentan-1-one
CID 18358037
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078205
3-(diaminomethylidene)-1,1-dimethylguanidine;5-[(3R)-dithiolan-3-yl]pentanoic acid
CID 23643140
tetrakis([(5S)-5-amino-5-carboxypentyl]azanium);bis(5-[(3R)-dithiolan-3-yl]pentanoate);bis(9-hydroxy-9-oxononanoate)
CID 161270231

Frequently Asked Questions

What is the IUPAC name of potassium;5-(dithiolan-3-yl)pentanoic acid;hydride?
The IUPAC name of potassium;5-(dithiolan-3-yl)pentanoic acid;hydride (CID 174478927) is potassium;5-(dithiolan-3-yl)pentanoic acid;hydride.
What is the SMILES notation for potassium;5-(dithiolan-3-yl)pentanoic acid;hydride?
The canonical SMILES for potassium;5-(dithiolan-3-yl)pentanoic acid;hydride is O=C(O)CCCCC1CCSS1.[H-].[K+].
What is the InChIKey of potassium;5-(dithiolan-3-yl)pentanoic acid;hydride?
The InChIKey is IGLMMSBDWRHKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2.K.H/c9-8(10)4-2-1-3-7-5-6-11-12-7;;/h7H,1-6H2,(H,9,10);;/q;+1;-1.
What are the key properties of potassium;5-(dithiolan-3-yl)pentanoic acid;hydride?
potassium;5-(dithiolan-3-yl)pentanoic acid;hydride has a molecular weight of 246.44 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(dithiolan-3-yl)pentanoic acid;hydride is sourced from PubChem (CID 174478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).