(ethyldisulfanyl)ethane;N-ethylethanamine

C8H21NS2 — CID 22328288

IUPAC(ethyldisulfanyl)ethane;N-ethylethanamine
SMILESCCNCC.CCSSCC
InChIInChI=1S/C4H11N.C4H10S2/c1-3-5-4-2;1-3-5-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyJUOASZRGMPOVAH-UHFFFAOYSA-N
MW195.40 g/mol
LogP3.02
Rot. Bonds5

About (ethyldisulfanyl)ethane;N-ethylethanamine

(ethyldisulfanyl)ethane;N-ethylethanamine (PubChem CID 22328288) has the molecular formula C8H21NS2 and a molecular weight of 195.40 g/mol. Its IUPAC name is (ethyldisulfanyl)ethane;N-ethylethanamine.

Molecular Properties

Compound Name(ethyldisulfanyl)ethane;N-ethylethanamine
PubChem CID22328288
Molecular FormulaC8H21NS2
Molecular Weight195.40 g/mol
Exact Mass195.11
IUPAC Name(ethyldisulfanyl)ethane;N-ethylethanamine
SMILESCCNCC.CCSSCC
InChIInChI=1S/C4H11N.C4H10S2/c1-3-5-4-2;1-3-5-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyJUOASZRGMPOVAH-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.40
LogP ≤ 53.02
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 (ethyldisulfanyl)ethane;N-ethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (ethyldisulfanyl)ethane;N-ethylethanamine?
The IUPAC name of (ethyldisulfanyl)ethane;N-ethylethanamine (CID 22328288) is (ethyldisulfanyl)ethane;N-ethylethanamine.
What is the SMILES notation for (ethyldisulfanyl)ethane;N-ethylethanamine?
The canonical SMILES for (ethyldisulfanyl)ethane;N-ethylethanamine is CCNCC.CCSSCC.
What is the InChIKey of (ethyldisulfanyl)ethane;N-ethylethanamine?
The InChIKey is JUOASZRGMPOVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H10S2/c1-3-5-4-2;1-3-5-6-4-2/h5H,3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of (ethyldisulfanyl)ethane;N-ethylethanamine?
(ethyldisulfanyl)ethane;N-ethylethanamine has a molecular weight of 195.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)ethane;N-ethylethanamine is sourced from PubChem (CID 22328288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).