1,2-bis(methyldisulfanyl)ethane

C4H10S4 — CID 6429067

IUPAC1,2-bis(methyldisulfanyl)ethane
SMILESCSSCCSSC
InChIInChI=1S/C4H10S4/c1-5-7-3-4-8-6-2/h3-4H2,1-2H3
InChIKeyXBODNKRFVBGYSE-UHFFFAOYSA-N
MW186.39 g/mol
LogP3.01
Rot. Bonds5

About 1,2-bis(methyldisulfanyl)ethane

1,2-bis(methyldisulfanyl)ethane (PubChem CID 6429067) has the molecular formula C4H10S4 and a molecular weight of 186.39 g/mol. Its IUPAC name is 1,2-bis(methyldisulfanyl)ethane.

Molecular Properties

Compound Name1,2-bis(methyldisulfanyl)ethane
PubChem CID6429067
Molecular FormulaC4H10S4
Molecular Weight186.39 g/mol
Exact Mass185.97
IUPAC Name1,2-bis(methyldisulfanyl)ethane
SMILESCSSCCSSC
InChIInChI=1S/C4H10S4/c1-5-7-3-4-8-6-2/h3-4H2,1-2H3
InChIKeyXBODNKRFVBGYSE-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.39
LogP ≤ 53.01
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methyldisulfanyl)ethane?
The IUPAC name of 1,2-bis(methyldisulfanyl)ethane (CID 6429067) is 1,2-bis(methyldisulfanyl)ethane.
What is the SMILES notation for 1,2-bis(methyldisulfanyl)ethane?
The canonical SMILES for 1,2-bis(methyldisulfanyl)ethane is CSSCCSSC.
What is the InChIKey of 1,2-bis(methyldisulfanyl)ethane?
The InChIKey is XBODNKRFVBGYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4/c1-5-7-3-4-8-6-2/h3-4H2,1-2H3.
What are the key properties of 1,2-bis(methyldisulfanyl)ethane?
1,2-bis(methyldisulfanyl)ethane has a molecular weight of 186.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methyldisulfanyl)ethane is sourced from PubChem (CID 6429067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).