trideuterio(methylsulfonylsulfanyl)methane

C2H6O2S2 — CID 71750461

IUPACtrideuterio(methylsulfonylsulfanyl)methane
SMILES[2H]C([2H])([2H])SS(C)(=O)=O
InChIInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3/i1D3
InChIKeyXYONNSVDNIRXKZ-FIBGUPNXSA-N
MW129.22 g/mol
LogP0.31
Rot. Bonds2

About trideuterio(methylsulfonylsulfanyl)methane

trideuterio(methylsulfonylsulfanyl)methane (PubChem CID 71750461) has the molecular formula C2H6O2S2 and a molecular weight of 129.22 g/mol. Its IUPAC name is trideuterio(methylsulfonylsulfanyl)methane.

Molecular Properties

Compound Nametrideuterio(methylsulfonylsulfanyl)methane
PubChem CID71750461
Molecular FormulaC2H6O2S2
Molecular Weight129.22 g/mol
Exact Mass129.00
IUPAC Nametrideuterio(methylsulfonylsulfanyl)methane
SMILES[2H]C([2H])([2H])SS(C)(=O)=O
InChIInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3/i1D3
InChIKeyXYONNSVDNIRXKZ-FIBGUPNXSA-N
XLogP0.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideuterio(methylsulfonylsulfanyl)methane?
The IUPAC name of trideuterio(methylsulfonylsulfanyl)methane (CID 71750461) is trideuterio(methylsulfonylsulfanyl)methane.
What is the SMILES notation for trideuterio(methylsulfonylsulfanyl)methane?
The canonical SMILES for trideuterio(methylsulfonylsulfanyl)methane is [2H]C([2H])([2H])SS(C)(=O)=O.
What is the InChIKey of trideuterio(methylsulfonylsulfanyl)methane?
The InChIKey is XYONNSVDNIRXKZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3/i1D3.
What are the key properties of trideuterio(methylsulfonylsulfanyl)methane?
trideuterio(methylsulfonylsulfanyl)methane has a molecular weight of 129.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio(methylsulfonylsulfanyl)methane is sourced from PubChem (CID 71750461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).