sulfuric acid;tetramethyl-λ4-sulfane

C4H14O4S2 — CID 87168995

IUPACsulfuric acid;tetramethyl-λ4-sulfane
SMILESCS(C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12S.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)
InChIKeyVFOKUSHOBTVONA-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.66
Rot. Bonds

About sulfuric acid;tetramethyl-λ4-sulfane

sulfuric acid;tetramethyl-λ4-sulfane (PubChem CID 87168995) has the molecular formula C4H14O4S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is sulfuric acid;tetramethyl-λ4-sulfane.

Molecular Properties

Compound Namesulfuric acid;tetramethyl-λ4-sulfane
PubChem CID87168995
Molecular FormulaC4H14O4S2
Molecular Weight190.29 g/mol
Exact Mass190.03
IUPAC Namesulfuric acid;tetramethyl-λ4-sulfane
SMILESCS(C)(C)C.O=S(=O)(O)O
InChIInChI=1S/C4H12S.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)
InChIKeyVFOKUSHOBTVONA-UHFFFAOYSA-N
XLogP0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sulfuric acid;tetramethyl-λ4-sulfane?
The IUPAC name of sulfuric acid;tetramethyl-λ4-sulfane (CID 87168995) is sulfuric acid;tetramethyl-λ4-sulfane.
What is the SMILES notation for sulfuric acid;tetramethyl-λ4-sulfane?
The canonical SMILES for sulfuric acid;tetramethyl-λ4-sulfane is CS(C)(C)C.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;tetramethyl-λ4-sulfane?
The InChIKey is VFOKUSHOBTVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12S.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;tetramethyl-λ4-sulfane?
sulfuric acid;tetramethyl-λ4-sulfane has a molecular weight of 190.29 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;tetramethyl-λ4-sulfane is sourced from PubChem (CID 87168995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).