hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane

C15H24O3S2 — CID 54443604

IUPAChydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane
SMILESCC(C)(C)CC(C)(C)c1ccc(COS(=O)(O)=S)cc1
InChIInChI=1S/C15H24O3S2/c1-14(2,3)11-15(4,5)13-8-6-12(7-9-13)10-18-20(16,17)19/h6-9H,10-11H2,1-5H3,(H,16,17,19)
InChIKeyWPWYTDKVKYQVPZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.05
Rot. Bonds5

About hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane

hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane (PubChem CID 54443604) has the molecular formula C15H24O3S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane
PubChem CID54443604
Molecular FormulaC15H24O3S2
Molecular Weight316.49 g/mol
Exact Mass316.12
IUPAC Namehydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane
SMILESCC(C)(C)CC(C)(C)c1ccc(COS(=O)(O)=S)cc1
InChIInChI=1S/C15H24O3S2/c1-14(2,3)11-15(4,5)13-8-6-12(7-9-13)10-18-20(16,17)19/h6-9H,10-11H2,1-5H3,(H,16,17,19)
InChIKeyWPWYTDKVKYQVPZ-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-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

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane?
The IUPAC name of hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane (CID 54443604) is hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane.
What is the SMILES notation for hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane?
The canonical SMILES for hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane is CC(C)(C)CC(C)(C)c1ccc(COS(=O)(O)=S)cc1.
What is the InChIKey of hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane?
The InChIKey is WPWYTDKVKYQVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S2/c1-14(2,3)11-15(4,5)13-8-6-12(7-9-13)10-18-20(16,17)19/h6-9H,10-11H2,1-5H3,(H,16,17,19).
What are the key properties of hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane?
hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane has a molecular weight of 316.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-sulfanylidene-[[4-(2,4,4-trimethylpentan-2-yl)phenyl]methoxy]-λ6-sulfane is sourced from PubChem (CID 54443604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).