(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane

C10H13O2S2- — CID 3494160

IUPAC(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCC(C)(C)c1ccc(S(=O)([O-])=S)cc1
InChIInChI=1S/C10H14O2S2/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1
InChIKeyWELIFDWECAGKMG-UHFFFAOYSA-M
MW229.35 g/mol
LogP2.22
Rot. Bonds1

About (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane

(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 3494160) has the molecular formula C10H13O2S2- and a molecular weight of 229.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
PubChem CID3494160
Molecular FormulaC10H13O2S2-
Molecular Weight229.35 g/mol
Exact Mass229.04
IUPAC Name(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCC(C)(C)c1ccc(S(=O)([O-])=S)cc1
InChIInChI=1S/C10H14O2S2/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1
InChIKeyWELIFDWECAGKMG-UHFFFAOYSA-M
XLogP2.22
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane (CID 3494160) is (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane is CC(C)(C)c1ccc(S(=O)([O-])=S)cc1.
What is the InChIKey of (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is WELIFDWECAGKMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14O2S2/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1.
What are the key properties of (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane?
(4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 229.35 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 3494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).