1-butylpyridin-1-ium;sulfane

C9H16NS+ — CID 174615974

IUPAC1-butylpyridin-1-ium;sulfane
SMILESCCCC[n+]1ccccc1.S
InChIInChI=1S/C9H14N.H2S/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H2/q+1;
InChIKeyHNBQJWHPHNDBBI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.89
Rot. Bonds3

About 1-butylpyridin-1-ium;sulfane

1-butylpyridin-1-ium;sulfane (PubChem CID 174615974) has the molecular formula C9H16NS+ and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-butylpyridin-1-ium;sulfane.

Molecular Properties

Compound Name1-butylpyridin-1-ium;sulfane
PubChem CID174615974
Molecular FormulaC9H16NS+
Molecular Weight170.30 g/mol
Exact Mass170.10
IUPAC Name1-butylpyridin-1-ium;sulfane
SMILESCCCC[n+]1ccccc1.S
InChIInChI=1S/C9H14N.H2S/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H2/q+1;
InChIKeyHNBQJWHPHNDBBI-UHFFFAOYSA-N
XLogP1.89
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-butylpyridin-1-ium;sulfane 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

1-butylpyridin-1-ium;chloroaluminum(2+)
CID 68542830
1-butylpyridin-1-ium;cobalt;methanone
CID 174808200
1-butylpyridin-1-ium;tetrachloroiron(1-)
CID 11573533
1-butylpyridin-1-ium;tetrachloroindiganuide
CID 16689404
1-hexadecylpyridin-1-ium
CID 159475499
1-dodecylpyridin-1-ium;1-tetradecylpyridin-1-ium
CID 160827832
1-dodecylpyridin-1-ium
CID 7718
1-pentylpyridin-1-ium;trihydrobromide
CID 174936866
1-tridecylpyridin-1-ium iodide
CID 71429526
bis(1-octylpyridin-1-ium) dibromide
CID 159443545
1-hexadecylpyridin-1-ium;hydrochloride
CID 22717447
1-hexadecylpyridin-1-ium;sulfanide
CID 86272743

Frequently Asked Questions

What is the IUPAC name of 1-butylpyridin-1-ium;sulfane?
The IUPAC name of 1-butylpyridin-1-ium;sulfane (CID 174615974) is 1-butylpyridin-1-ium;sulfane.
What is the SMILES notation for 1-butylpyridin-1-ium;sulfane?
The canonical SMILES for 1-butylpyridin-1-ium;sulfane is CCCC[n+]1ccccc1.S.
What is the InChIKey of 1-butylpyridin-1-ium;sulfane?
The InChIKey is HNBQJWHPHNDBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.H2S/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H2/q+1;.
What are the key properties of 1-butylpyridin-1-ium;sulfane?
1-butylpyridin-1-ium;sulfane has a molecular weight of 170.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyridin-1-ium;sulfane is sourced from PubChem (CID 174615974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).