(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)

C8H22S6 — CID 159797170

IUPAC(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
SMILESCCSSCC.CSSC.CSSC
InChIInChI=1S/C4H10S2.2C2H6S2/c1-3-5-6-4-2;2*1-3-4-2/h3-4H2,1-2H3;2*1-2H3
InChIKeyNJHZLJANYGQIBC-UHFFFAOYSA-N
MW310.67 g/mol
LogP5.66
Rot. Bonds5

About (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)

(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) (PubChem CID 159797170) has the molecular formula C8H22S6 and a molecular weight of 310.67 g/mol. Its IUPAC name is (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane).

Molecular Properties

Compound Name(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
PubChem CID159797170
Molecular FormulaC8H22S6
Molecular Weight310.67 g/mol
Exact Mass310.00
IUPAC Name(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
SMILESCCSSCC.CSSC.CSSC
InChIInChI=1S/C4H10S2.2C2H6S2/c1-3-5-6-4-2;2*1-3-4-2/h3-4H2,1-2H3;2*1-2H3
InChIKeyNJHZLJANYGQIBC-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.67
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) 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

(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
copper;(ethyldisulfanyl)ethane
CID 159600030
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane
CID 175110136
hexane;tris((methyldisulfanyl)methane)
CID 162088093
(methyldisulfanyl)methylsulfanylethane
CID 86158213
(methyldisulfanyl)methane;nickel
CID 159414601
ethoxyethane;(methyldisulfanyl)methane
CID 155026334
3-[(ethyldisulfanyl)methyl]pentane
CID 118227078
1-(methyldisulfanyl)propane
CID 16592
1-(ethyldisulfanyl)-2-methoxyethane
CID 58608020
1-(ethyldisulfanyl)but-2-yne
CID 59718463
sodium;hydride;(methyldisulfanyl)methane
CID 173290798

Frequently Asked Questions

What is the IUPAC name of (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)?
The IUPAC name of (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) (CID 159797170) is (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane).
What is the SMILES notation for (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)?
The canonical SMILES for (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) is CCSSCC.CSSC.CSSC.
What is the InChIKey of (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)?
The InChIKey is NJHZLJANYGQIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2.2C2H6S2/c1-3-5-6-4-2;2*1-3-4-2/h3-4H2,1-2H3;2*1-2H3.
What are the key properties of (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)?
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) has a molecular weight of 310.67 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane) is sourced from PubChem (CID 159797170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).