(ethyldisulfanyl)ethane;(methyldisulfanyl)methane

C6H16S4 — CID 87339090

IUPAC(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
SMILESCCSSCC.CSSC
InChIInChI=1S/C4H10S2.C2H6S2/c1-3-5-6-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3
InChIKeyOMLBRGRPDIMVFB-UHFFFAOYSA-N
MW216.46 g/mol
LogP4.03
Rot. Bonds4

About (ethyldisulfanyl)ethane;(methyldisulfanyl)methane

(ethyldisulfanyl)ethane;(methyldisulfanyl)methane (PubChem CID 87339090) has the molecular formula C6H16S4 and a molecular weight of 216.46 g/mol. Its IUPAC name is (ethyldisulfanyl)ethane;(methyldisulfanyl)methane.

Molecular Properties

Compound Name(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
PubChem CID87339090
Molecular FormulaC6H16S4
Molecular Weight216.46 g/mol
Exact Mass216.01
IUPAC Name(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
SMILESCCSSCC.CSSC
InChIInChI=1S/C4H10S2.C2H6S2/c1-3-5-6-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3
InChIKeyOMLBRGRPDIMVFB-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170
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;(methyldisulfanyl)methane?
The IUPAC name of (ethyldisulfanyl)ethane;(methyldisulfanyl)methane (CID 87339090) is (ethyldisulfanyl)ethane;(methyldisulfanyl)methane.
What is the SMILES notation for (ethyldisulfanyl)ethane;(methyldisulfanyl)methane?
The canonical SMILES for (ethyldisulfanyl)ethane;(methyldisulfanyl)methane is CCSSCC.CSSC.
What is the InChIKey of (ethyldisulfanyl)ethane;(methyldisulfanyl)methane?
The InChIKey is OMLBRGRPDIMVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S2.C2H6S2/c1-3-5-6-4-2;1-3-4-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of (ethyldisulfanyl)ethane;(methyldisulfanyl)methane?
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane has a molecular weight of 216.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (ethyldisulfanyl)ethane;(methyldisulfanyl)methane is sourced from PubChem (CID 87339090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).