tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane

C7H14OS — CID 165087260

IUPACtert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
SMILESC=CS(=C)(=O)C(C)(C)C
InChIInChI=1S/C7H14OS/c1-6-9(5,8)7(2,3)4/h6H,1,5H2,2-4H3
InChIKeyKGKLWUPNOZHORE-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.64
Rot. Bonds1

About tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane

tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane (PubChem CID 165087260) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
PubChem CID165087260
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Nametert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
SMILESC=CS(=C)(=O)C(C)(C)C
InChIInChI=1S/C7H14OS/c1-6-9(5,8)7(2,3)4/h6H,1,5H2,2-4H3
InChIKeyKGKLWUPNOZHORE-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-ethenyl-methylidene-oxo-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 tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane (CID 165087260) is tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane is C=CS(=C)(=O)C(C)(C)C.
What is the InChIKey of tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane?
The InChIKey is KGKLWUPNOZHORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6-9(5,8)7(2,3)4/h6H,1,5H2,2-4H3.
What are the key properties of tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane?
tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane has a molecular weight of 146.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 165087260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).