2-methyl-4-sulfanyloxypentane

C6H14OS — CID 134302466

IUPAC2-methyl-4-sulfanyloxypentane
SMILESCC(C)CC(C)OS
InChIInChI=1S/C6H14OS/c1-5(2)4-6(3)7-8/h5-6,8H,4H2,1-3H3
InChIKeyPKNZCLMYGHSTKH-UHFFFAOYSA-N
MW134.24 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-4-sulfanyloxypentane

2-methyl-4-sulfanyloxypentane (PubChem CID 134302466) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-methyl-4-sulfanyloxypentane.

Molecular Properties

Compound Name2-methyl-4-sulfanyloxypentane
PubChem CID134302466
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-methyl-4-sulfanyloxypentane
SMILESCC(C)CC(C)OS
InChIInChI=1S/C6H14OS/c1-5(2)4-6(3)7-8/h5-6,8H,4H2,1-3H3
InChIKeyPKNZCLMYGHSTKH-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-sulfanyloxypentane?
The IUPAC name of 2-methyl-4-sulfanyloxypentane (CID 134302466) is 2-methyl-4-sulfanyloxypentane.
What is the SMILES notation for 2-methyl-4-sulfanyloxypentane?
The canonical SMILES for 2-methyl-4-sulfanyloxypentane is CC(C)CC(C)OS.
What is the InChIKey of 2-methyl-4-sulfanyloxypentane?
The InChIKey is PKNZCLMYGHSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(2)4-6(3)7-8/h5-6,8H,4H2,1-3H3.
What are the key properties of 2-methyl-4-sulfanyloxypentane?
2-methyl-4-sulfanyloxypentane has a molecular weight of 134.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-sulfanyloxypentane is sourced from PubChem (CID 134302466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).