trimethyl(methylsulfanyl)-λ4-sulfane

C4H12S2 — CID 44609430

IUPACtrimethyl(methylsulfanyl)-λ4-sulfane
SMILESCSS(C)(C)C
InChIInChI=1S/C4H12S2/c1-5-6(2,3)4/h1-4H3
InChIKeyBAGUNXJLJDOTAE-UHFFFAOYSA-N
MW124.27 g/mol
LogP1.96
Rot. Bonds1

About trimethyl(methylsulfanyl)-λ4-sulfane

trimethyl(methylsulfanyl)-λ4-sulfane (PubChem CID 44609430) has the molecular formula C4H12S2 and a molecular weight of 124.27 g/mol. Its IUPAC name is trimethyl(methylsulfanyl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(methylsulfanyl)-λ4-sulfane
PubChem CID44609430
Molecular FormulaC4H12S2
Molecular Weight124.27 g/mol
Exact Mass124.04
IUPAC Nametrimethyl(methylsulfanyl)-λ4-sulfane
SMILESCSS(C)(C)C
InChIInChI=1S/C4H12S2/c1-5-6(2,3)4/h1-4H3
InChIKeyBAGUNXJLJDOTAE-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(methylsulfanyl)-λ4-sulfane?
The IUPAC name of trimethyl(methylsulfanyl)-λ4-sulfane (CID 44609430) is trimethyl(methylsulfanyl)-λ4-sulfane.
What is the SMILES notation for trimethyl(methylsulfanyl)-λ4-sulfane?
The canonical SMILES for trimethyl(methylsulfanyl)-λ4-sulfane is CSS(C)(C)C.
What is the InChIKey of trimethyl(methylsulfanyl)-λ4-sulfane?
The InChIKey is BAGUNXJLJDOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12S2/c1-5-6(2,3)4/h1-4H3.
What are the key properties of trimethyl(methylsulfanyl)-λ4-sulfane?
trimethyl(methylsulfanyl)-λ4-sulfane has a molecular weight of 124.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(methylsulfanyl)-λ4-sulfane is sourced from PubChem (CID 44609430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).