trideuterio(trideuteriomethylsulfanyl)methane

C2H6S — CID 2724139

IUPACtrideuterio(trideuteriomethylsulfanyl)methane
SMILES[2H]C([2H])([2H])SC([2H])([2H])[2H]
InChIInChI=1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3
InChIKeyQMMFVYPAHWMCMS-WFGJKAKNSA-N
MW68.17 g/mol
LogP0.98
Rot. Bonds2

About trideuterio(trideuteriomethylsulfanyl)methane

trideuterio(trideuteriomethylsulfanyl)methane (PubChem CID 2724139) has the molecular formula C2H6S and a molecular weight of 68.17 g/mol. Its IUPAC name is trideuterio(trideuteriomethylsulfanyl)methane.

Molecular Properties

Compound Nametrideuterio(trideuteriomethylsulfanyl)methane
PubChem CID2724139
Molecular FormulaC2H6S
Molecular Weight68.17 g/mol
Exact Mass68.06
IUPAC Nametrideuterio(trideuteriomethylsulfanyl)methane
SMILES[2H]C([2H])([2H])SC([2H])([2H])[2H]
InChIInChI=1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3
InChIKeyQMMFVYPAHWMCMS-WFGJKAKNSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.17
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trideuterio(trideuteriomethylsulfanyl)methane?
The IUPAC name of trideuterio(trideuteriomethylsulfanyl)methane (CID 2724139) is trideuterio(trideuteriomethylsulfanyl)methane.
What is the SMILES notation for trideuterio(trideuteriomethylsulfanyl)methane?
The canonical SMILES for trideuterio(trideuteriomethylsulfanyl)methane is [2H]C([2H])([2H])SC([2H])([2H])[2H].
What is the InChIKey of trideuterio(trideuteriomethylsulfanyl)methane?
The InChIKey is QMMFVYPAHWMCMS-WFGJKAKNSA-N. The full InChI is InChI=1S/C2H6S/c1-3-2/h1-2H3/i1D3,2D3.
What are the key properties of trideuterio(trideuteriomethylsulfanyl)methane?
trideuterio(trideuteriomethylsulfanyl)methane has a molecular weight of 68.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideuterio(trideuteriomethylsulfanyl)methane is sourced from PubChem (CID 2724139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).