2-methyl-2-methylsulfanyloxybutane

C6H14OS — CID 123588316

IUPAC2-methyl-2-methylsulfanyloxybutane
SMILESCCC(C)(C)OSC
InChIInChI=1S/C6H14OS/c1-5-6(2,3)7-8-4/h5H2,1-4H3
InChIKeyXLYAVHMQNXODMN-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-2-methylsulfanyloxybutane

2-methyl-2-methylsulfanyloxybutane (PubChem CID 123588316) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyloxybutane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyloxybutane
PubChem CID123588316
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methyl-2-methylsulfanyloxybutane
SMILESCCC(C)(C)OSC
InChIInChI=1S/C6H14OS/c1-5-6(2,3)7-8-4/h5H2,1-4H3
InChIKeyXLYAVHMQNXODMN-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyloxybutane?
The IUPAC name of 2-methyl-2-methylsulfanyloxybutane (CID 123588316) is 2-methyl-2-methylsulfanyloxybutane.
What is the SMILES notation for 2-methyl-2-methylsulfanyloxybutane?
The canonical SMILES for 2-methyl-2-methylsulfanyloxybutane is CCC(C)(C)OSC.
What is the InChIKey of 2-methyl-2-methylsulfanyloxybutane?
The InChIKey is XLYAVHMQNXODMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5-6(2,3)7-8-4/h5H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfanyloxybutane?
2-methyl-2-methylsulfanyloxybutane has a molecular weight of 134.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyloxybutane is sourced from PubChem (CID 123588316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).