(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

Analyze (4-tert-butylphenyl)-oxido-oxo-sulfanylidene-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc bis(4-tert-butylbenzenesulfonate)
CID 139716478
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
p-t-Butylbenzenesulfonamide potassium
CID 66748434
bis(bis(4-tert-butylphenyl)iodanium);bis(4-tert-butylbenzenesulfonate)
CID 157264437
(4-tert-butylphenyl)sulfonylformonitrile
CID 117036997
1-(bromomethylsulfonyl)-4-tert-butylbenzene
CID 66789590
1-tert-butyl-4-(iodomethylsulfonyl)benzene
CID 89352568
bromo-tris(4-tert-butylphenyl)-λ4-sulfane
CID 140508854
3-(4-tert-butylphenyl)sulfonyloxybutan-2-yl 4-tert-butylbenzenesulfonate
CID 89439343
methylsulfonyl-[tris(4-tert-butylphenyl)-λ4-sulfanyl]oxidanium
CID 57183469
1-tert-butyl-4-cyclopropylsulfonylbenzene
CID 117031985
N-[(4-tert-butylphenyl)-methylidene-oxo-λ6-sulfanyl]-N-methylmethanamine
CID 157325507

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).