2-methylbutyl-oxido-sulfanylidene-λ4-sulfane

C5H11OS2- — CID 89374363

IUPAC2-methylbutyl-oxido-sulfanylidene-λ4-sulfane
SMILESCCC(C)CS([O-])=S
InChIInChI=1S/C5H12OS2/c1-3-5(2)4-8(6)7/h5H,3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyKLKRXRQXMRWRIC-UHFFFAOYSA-M
MW151.28 g/mol
LogP1.24
Rot. Bonds3

About 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane

2-methylbutyl-oxido-sulfanylidene-λ4-sulfane (PubChem CID 89374363) has the molecular formula C5H11OS2- and a molecular weight of 151.28 g/mol. Its IUPAC name is 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Name2-methylbutyl-oxido-sulfanylidene-λ4-sulfane
PubChem CID89374363
Molecular FormulaC5H11OS2-
Molecular Weight151.28 g/mol
Exact Mass151.03
IUPAC Name2-methylbutyl-oxido-sulfanylidene-λ4-sulfane
SMILESCCC(C)CS([O-])=S
InChIInChI=1S/C5H12OS2/c1-3-5(2)4-8(6)7/h5H,3-4H2,1-2H3,(H,6,7)/p-1
InChIKeyKLKRXRQXMRWRIC-UHFFFAOYSA-M
XLogP1.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutane-1-sulfinamide
CID 139559461
methanolate;2-methylbutylaluminum(2+)
CID 19766055
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
sodium 2-methylbutan-1-olate
CID 23683800
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
2-methylbutylaluminum(2+) dibromide
CID 174718985
methyl(2-methylbutyl)silane
CID 123564774
3-(deuteriomethyl)pentane
CID 58682652

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane?
The IUPAC name of 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane (CID 89374363) is 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane.
What is the SMILES notation for 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane?
The canonical SMILES for 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane is CCC(C)CS([O-])=S.
What is the InChIKey of 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane?
The InChIKey is KLKRXRQXMRWRIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12OS2/c1-3-5(2)4-8(6)7/h5H,3-4H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane?
2-methylbutyl-oxido-sulfanylidene-λ4-sulfane has a molecular weight of 151.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl-oxido-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 89374363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).