1-(methyldisulfanyl)-2-methylsulfanylethane

C4H10S3 — CID 86246115

IUPAC1-(methyldisulfanyl)-2-methylsulfanylethane
SMILESCSCCSSC
InChIInChI=1S/C4H10S3/c1-5-3-4-7-6-2/h3-4H2,1-2H3
InChIKeyWFCZNJGTIGUAGS-UHFFFAOYSA-N
MW154.32 g/mol
LogP2.36
Rot. Bonds4

About 1-(methyldisulfanyl)-2-methylsulfanylethane

1-(methyldisulfanyl)-2-methylsulfanylethane (PubChem CID 86246115) has the molecular formula C4H10S3 and a molecular weight of 154.32 g/mol. Its IUPAC name is 1-(methyldisulfanyl)-2-methylsulfanylethane.

Molecular Properties

Compound Name1-(methyldisulfanyl)-2-methylsulfanylethane
PubChem CID86246115
Molecular FormulaC4H10S3
Molecular Weight154.32 g/mol
Exact Mass153.99
IUPAC Name1-(methyldisulfanyl)-2-methylsulfanylethane
SMILESCSCCSSC
InChIInChI=1S/C4H10S3/c1-5-3-4-7-6-2/h3-4H2,1-2H3
InChIKeyWFCZNJGTIGUAGS-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methyldisulfanyl)-2-methylsulfanylethane?
The IUPAC name of 1-(methyldisulfanyl)-2-methylsulfanylethane (CID 86246115) is 1-(methyldisulfanyl)-2-methylsulfanylethane.
What is the SMILES notation for 1-(methyldisulfanyl)-2-methylsulfanylethane?
The canonical SMILES for 1-(methyldisulfanyl)-2-methylsulfanylethane is CSCCSSC.
What is the InChIKey of 1-(methyldisulfanyl)-2-methylsulfanylethane?
The InChIKey is WFCZNJGTIGUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S3/c1-5-3-4-7-6-2/h3-4H2,1-2H3.
What are the key properties of 1-(methyldisulfanyl)-2-methylsulfanylethane?
1-(methyldisulfanyl)-2-methylsulfanylethane has a molecular weight of 154.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methyldisulfanyl)-2-methylsulfanylethane is sourced from PubChem (CID 86246115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).