2-ethylsulfanylethylazanium

C4H12NS+ — CID 7004128

IUPAC2-ethylsulfanylethylazanium
SMILESCCSCC[NH3+]
InChIInChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3/p+1
InChIKeyHJCTVUWPHAZTLI-UHFFFAOYSA-O
MW106.21 g/mol
LogP-0.02
Rot. Bonds3

About 2-ethylsulfanylethylazanium

2-ethylsulfanylethylazanium (PubChem CID 7004128) has the molecular formula C4H12NS+ and a molecular weight of 106.21 g/mol. Its IUPAC name is 2-ethylsulfanylethylazanium.

Molecular Properties

Compound Name2-ethylsulfanylethylazanium
PubChem CID7004128
Molecular FormulaC4H12NS+
Molecular Weight106.21 g/mol
Exact Mass106.07
IUPAC Name2-ethylsulfanylethylazanium
SMILESCCSCC[NH3+]
InChIInChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3/p+1
InChIKeyHJCTVUWPHAZTLI-UHFFFAOYSA-O
XLogP-0.02
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylsulfanylethylazanium 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

3-(Methylthio)propylamine
CID 77743
2,2'-Thiobis(ethanamine)
CID 70096
(2-(Methylthio)ethyl)amine
CID 87697
Propylamine, 3-(methylthio)-, hydrochloride
CID 200644
Ethanamine, 2-(ethylthio)-
CID 148011
4-(Methylsulfanyl)butan-1-amine
CID 533935
Ethylamine, 2-(2-butynylthio)-
CID 53287
N-Methyl-2-(methylthio)ethanamine
CID 18670831
2-(Methylsulfanyl)propan-1-amine
CID 22450265
2-(Methylsulfanyl)ethan-1-amine hydrochloride
CID 22722792
3-(Methylthio)propylamine hydroiodide
CID 175673056
2-(Ethylthio)ethylamine hydrochloride
CID 3016870

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylazanium?
The IUPAC name of 2-ethylsulfanylethylazanium (CID 7004128) is 2-ethylsulfanylethylazanium.
What is the SMILES notation for 2-ethylsulfanylethylazanium?
The canonical SMILES for 2-ethylsulfanylethylazanium is CCSCC[NH3+].
What is the InChIKey of 2-ethylsulfanylethylazanium?
The InChIKey is HJCTVUWPHAZTLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3/p+1.
What are the key properties of 2-ethylsulfanylethylazanium?
2-ethylsulfanylethylazanium has a molecular weight of 106.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylazanium is sourced from PubChem (CID 7004128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).