2-methyl-2-(methylsulfanylmethoxy)butane

C7H16OS — CID 118028398

IUPAC2-methyl-2-(methylsulfanylmethoxy)butane
SMILESCCC(C)(C)OCSC
InChIInChI=1S/C7H16OS/c1-5-7(2,3)8-6-9-4/h5-6H2,1-4H3
InChIKeyALWXSDFRVYURRZ-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-2-(methylsulfanylmethoxy)butane

2-methyl-2-(methylsulfanylmethoxy)butane (PubChem CID 118028398) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfanylmethoxy)butane.

Molecular Properties

Compound Name2-methyl-2-(methylsulfanylmethoxy)butane
PubChem CID118028398
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-methyl-2-(methylsulfanylmethoxy)butane
SMILESCCC(C)(C)OCSC
InChIInChI=1S/C7H16OS/c1-5-7(2,3)8-6-9-4/h5-6H2,1-4H3
InChIKeyALWXSDFRVYURRZ-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[(methylsulfanyl)methoxy]propane
CID 57917108
O-(2-methylbutan-2-yl) methanethioate
CID 87568732
2-(Ethylsulfanylmethoxy)-2-methylbutane
CID 118028400
2-Methoxy-2-methylbutane;sulfane
CID 174404434
2-[Bis(methylsulfanyl)methoxy]-2-methylpropane
CID 101334691
Dimethyl(2-methylbutan-2-yloxy)sulfanium
CID 101340965
3-Methoxy-3-methyl-1-methylsulfanylbutane
CID 130978752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfanylmethoxy)butane?
The IUPAC name of 2-methyl-2-(methylsulfanylmethoxy)butane (CID 118028398) is 2-methyl-2-(methylsulfanylmethoxy)butane.
What is the SMILES notation for 2-methyl-2-(methylsulfanylmethoxy)butane?
The canonical SMILES for 2-methyl-2-(methylsulfanylmethoxy)butane is CCC(C)(C)OCSC.
What is the InChIKey of 2-methyl-2-(methylsulfanylmethoxy)butane?
The InChIKey is ALWXSDFRVYURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-7(2,3)8-6-9-4/h5-6H2,1-4H3.
What are the key properties of 2-methyl-2-(methylsulfanylmethoxy)butane?
2-methyl-2-(methylsulfanylmethoxy)butane has a molecular weight of 148.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfanylmethoxy)butane is sourced from PubChem (CID 118028398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).