hydron;tetrabutylazanium;sulfide

C16H37NS — CID 87064104

IUPAChydron;tetrabutylazanium;sulfide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[H+].[S-2]
InChIInChI=1S/C16H36N.S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;/q+1;-2/p+1
InChIKeyGICJWOGPBLLCRO-UHFFFAOYSA-O
MW275.55 g/mol
LogP5.11
Rot. Bonds12

About hydron;tetrabutylazanium;sulfide

hydron;tetrabutylazanium;sulfide (PubChem CID 87064104) has the molecular formula C16H37NS and a molecular weight of 275.55 g/mol. Its IUPAC name is hydron;tetrabutylazanium;sulfide.

Molecular Properties

Compound Namehydron;tetrabutylazanium;sulfide
PubChem CID87064104
Molecular FormulaC16H37NS
Molecular Weight275.55 g/mol
Exact Mass275.26
IUPAC Namehydron;tetrabutylazanium;sulfide
SMILESCCCC[N+](CCCC)(CCCC)CCCC.[H+].[S-2]
InChIInChI=1S/C16H36N.S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;/q+1;-2/p+1
InChIKeyGICJWOGPBLLCRO-UHFFFAOYSA-O
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze hydron;tetrabutylazanium;sulfide 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

hydron;tetrabutylazanium;diiodide
CID 173281455
hydron;tetrabutylazanium;hydrobromide
CID 173127393
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
hydron;oxophosphane;tetrabutylazanium
CID 174884742
tributyl(hexadecyl)azanium
CID 3083031
tetrabutylazanium;fluoride;dihydrate
CID 22343550
tributyl(triacontyl)azanium
CID 153322884
tetrabutylazanium;chloride;hydrobromide
CID 160850218
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427

Frequently Asked Questions

What is the IUPAC name of hydron;tetrabutylazanium;sulfide?
The IUPAC name of hydron;tetrabutylazanium;sulfide (CID 87064104) is hydron;tetrabutylazanium;sulfide.
What is the SMILES notation for hydron;tetrabutylazanium;sulfide?
The canonical SMILES for hydron;tetrabutylazanium;sulfide is CCCC[N+](CCCC)(CCCC)CCCC.[H+].[S-2].
What is the InChIKey of hydron;tetrabutylazanium;sulfide?
The InChIKey is GICJWOGPBLLCRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H36N.S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;/q+1;-2/p+1.
What are the key properties of hydron;tetrabutylazanium;sulfide?
hydron;tetrabutylazanium;sulfide has a molecular weight of 275.55 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetrabutylazanium;sulfide is sourced from PubChem (CID 87064104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).