oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane

C15H23O2S2- — CID 59594085

IUPACoxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
SMILESCC(C)c1cc(C(C)C)c(S(=O)([O-])=S)c(C(C)C)c1
InChIInChI=1S/C15H24O2S2/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)/p-1
InChIKeyNGLUFDAHVCORPH-UHFFFAOYSA-M
MW299.48 g/mol
LogP4.29
Rot. Bonds4

About oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane

oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane (PubChem CID 59594085) has the molecular formula C15H23O2S2- and a molecular weight of 299.48 g/mol. Its IUPAC name is oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane.

Molecular Properties

Compound Nameoxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
PubChem CID59594085
Molecular FormulaC15H23O2S2-
Molecular Weight299.48 g/mol
Exact Mass299.11
IUPAC Nameoxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane
SMILESCC(C)c1cc(C(C)C)c(S(=O)([O-])=S)c(C(C)C)c1
InChIInChI=1S/C15H24O2S2/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)/p-1
InChIKeyNGLUFDAHVCORPH-UHFFFAOYSA-M
XLogP4.29
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-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

lithium 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 155386874
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 123143002
methylidene-[2,4,6-tri(propan-2-yl)phenyl]sulfonyliminoazanium
CID 159723459
2,2-dimethyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylaziridine
CID 25198448
lithium 2,4,6-tri(propan-2-yl)benzenesulfinate
CID 23661810
2,4,6-tricyclohexylbenzenesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate
CID 159249814
[tris(4-tert-butylphenyl)-λ4-sulfanyl] 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 87415617
2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
CID 5382407
3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]butanoic acid
CID 25036140
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699
N-[(E)-3-methylbutan-2-ylideneamino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 12563993
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltriazole
CID 19818805

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane?
The IUPAC name of oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane (CID 59594085) is oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane.
What is the SMILES notation for oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane?
The canonical SMILES for oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane is CC(C)c1cc(C(C)C)c(S(=O)([O-])=S)c(C(C)C)c1.
What is the InChIKey of oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane?
The InChIKey is NGLUFDAHVCORPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O2S2/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)/p-1.
What are the key properties of oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane?
oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane has a molecular weight of 299.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-sulfanylidene-[2,4,6-tri(propan-2-yl)phenyl]-λ6-sulfane is sourced from PubChem (CID 59594085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).