methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane

C6H14OS — CID 147389699

IUPACmethyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
SMILESC=S(C)(=O)CC(C)C
InChIInChI=1S/C6H14OS/c1-6(2)5-8(3,4)7/h6H,3,5H2,1-2,4H3
InChIKeyDMPUKNCKMTZIAI-UHFFFAOYSA-N
MW134.24 g/mol
LogP0.99
Rot. Bonds2

About methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane

methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane (PubChem CID 147389699) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
PubChem CID147389699
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Namemethyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
SMILESC=S(C)(=O)CC(C)C
InChIInChI=1S/C6H14OS/c1-6(2)5-8(3,4)7/h6H,3,5H2,1-2,4H3
InChIKeyDMPUKNCKMTZIAI-UHFFFAOYSA-N
XLogP0.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane?
The IUPAC name of methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane (CID 147389699) is methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane.
What is the SMILES notation for methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane?
The canonical SMILES for methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane is C=S(C)(=O)CC(C)C.
What is the InChIKey of methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane?
The InChIKey is DMPUKNCKMTZIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-6(2)5-8(3,4)7/h6H,3,5H2,1-2,4H3.
What are the key properties of methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane?
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane has a molecular weight of 134.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane is sourced from PubChem (CID 147389699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).