methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane

C10H22OS2 — CID 91403041

IUPACmethyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane
SMILESCCC(C)(C)OC(C)(C)CS(C)=S
InChIInChI=1S/C10H22OS2/c1-7-9(2,3)11-10(4,5)8-13(6)12/h7-8H2,1-6H3
InChIKeyYYSSJVAJSFDVFM-UHFFFAOYSA-N
MW222.42 g/mol
LogP2.68
Rot. Bonds5

About methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane

methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane (PubChem CID 91403041) has the molecular formula C10H22OS2 and a molecular weight of 222.42 g/mol. Its IUPAC name is methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane
PubChem CID91403041
Molecular FormulaC10H22OS2
Molecular Weight222.42 g/mol
Exact Mass222.11
IUPAC Namemethyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane
SMILESCCC(C)(C)OC(C)(C)CS(C)=S
InChIInChI=1S/C10H22OS2/c1-7-9(2,3)11-10(4,5)8-13(6)12/h7-8H2,1-6H3
InChIKeyYYSSJVAJSFDVFM-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane (CID 91403041) is methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane is CCC(C)(C)OC(C)(C)CS(C)=S.
What is the InChIKey of methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane?
The InChIKey is YYSSJVAJSFDVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS2/c1-7-9(2,3)11-10(4,5)8-13(6)12/h7-8H2,1-6H3.
What are the key properties of methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane?
methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane has a molecular weight of 222.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 91403041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).