2-(4-methylpentan-2-yloxy)ethanethioamide

C8H17NOS — CID 24706890

IUPAC2-(4-methylpentan-2-yloxy)ethanethioamide
SMILESCC(C)CC(C)OCC(N)=S
InChIInChI=1S/C8H17NOS/c1-6(2)4-7(3)10-5-8(9)11/h6-7H,4-5H2,1-3H3,(H2,9,11)
InChIKeyANJOQFFAMSPMIV-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-methylpentan-2-yloxy)ethanethioamide

2-(4-methylpentan-2-yloxy)ethanethioamide (PubChem CID 24706890) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yloxy)ethanethioamide.

Molecular Properties

Compound Name2-(4-methylpentan-2-yloxy)ethanethioamide
PubChem CID24706890
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-(4-methylpentan-2-yloxy)ethanethioamide
SMILESCC(C)CC(C)OCC(N)=S
InChIInChI=1S/C8H17NOS/c1-6(2)4-7(3)10-5-8(9)11/h6-7H,4-5H2,1-3H3,(H2,9,11)
InChIKeyANJOQFFAMSPMIV-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yloxy)ethanethioamide?
The IUPAC name of 2-(4-methylpentan-2-yloxy)ethanethioamide (CID 24706890) is 2-(4-methylpentan-2-yloxy)ethanethioamide.
What is the SMILES notation for 2-(4-methylpentan-2-yloxy)ethanethioamide?
The canonical SMILES for 2-(4-methylpentan-2-yloxy)ethanethioamide is CC(C)CC(C)OCC(N)=S.
What is the InChIKey of 2-(4-methylpentan-2-yloxy)ethanethioamide?
The InChIKey is ANJOQFFAMSPMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-6(2)4-7(3)10-5-8(9)11/h6-7H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 2-(4-methylpentan-2-yloxy)ethanethioamide?
2-(4-methylpentan-2-yloxy)ethanethioamide has a molecular weight of 175.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yloxy)ethanethioamide is sourced from PubChem (CID 24706890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).