methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane

C4H10O2S4 — CID 86208848

IUPACmethylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane
SMILESCSCSCS(=O)(=O)SC
InChIInChI=1S/C4H10O2S4/c1-7-3-9-4-10(5,6)8-2/h3-4H2,1-2H3
InChIKeyQBQGPZFZTUTTCS-UHFFFAOYSA-N
MW218.39 g/mol
LogP1.69
Rot. Bonds5

About methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane

methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane (PubChem CID 86208848) has the molecular formula C4H10O2S4 and a molecular weight of 218.39 g/mol. Its IUPAC name is methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane.

Molecular Properties

Compound Namemethylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane
PubChem CID86208848
Molecular FormulaC4H10O2S4
Molecular Weight218.39 g/mol
Exact Mass217.96
IUPAC Namemethylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane
SMILESCSCSCS(=O)(=O)SC
InChIInChI=1S/C4H10O2S4/c1-7-3-9-4-10(5,6)8-2/h3-4H2,1-2H3
InChIKeyQBQGPZFZTUTTCS-UHFFFAOYSA-N
XLogP1.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane?
The IUPAC name of methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane (CID 86208848) is methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane.
What is the SMILES notation for methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane?
The canonical SMILES for methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane is CSCSCS(=O)(=O)SC.
What is the InChIKey of methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane?
The InChIKey is QBQGPZFZTUTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S4/c1-7-3-9-4-10(5,6)8-2/h3-4H2,1-2H3.
What are the key properties of methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane?
methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane has a molecular weight of 218.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(methylsulfanylsulfonylmethylsulfanyl)methane is sourced from PubChem (CID 86208848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).