N-ethanethioyl-2-methoxyacetamide

C5H9NO2S — CID 140553789

IUPACN-ethanethioyl-2-methoxyacetamide
SMILESCOCC(=O)NC(C)=S
InChIInChI=1S/C5H9NO2S/c1-4(9)6-5(7)3-8-2/h3H2,1-2H3,(H,6,7,9)
InChIKeyFRKUKYHMSJULGH-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.10
Rot. Bonds2

About N-ethanethioyl-2-methoxyacetamide

N-ethanethioyl-2-methoxyacetamide (PubChem CID 140553789) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is N-ethanethioyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-ethanethioyl-2-methoxyacetamide
PubChem CID140553789
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC NameN-ethanethioyl-2-methoxyacetamide
SMILESCOCC(=O)NC(C)=S
InChIInChI=1S/C5H9NO2S/c1-4(9)6-5(7)3-8-2/h3H2,1-2H3,(H,6,7,9)
InChIKeyFRKUKYHMSJULGH-UHFFFAOYSA-N
XLogP0.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethanethioyl-2-methoxyacetamide?
The IUPAC name of N-ethanethioyl-2-methoxyacetamide (CID 140553789) is N-ethanethioyl-2-methoxyacetamide.
What is the SMILES notation for N-ethanethioyl-2-methoxyacetamide?
The canonical SMILES for N-ethanethioyl-2-methoxyacetamide is COCC(=O)NC(C)=S.
What is the InChIKey of N-ethanethioyl-2-methoxyacetamide?
The InChIKey is FRKUKYHMSJULGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-4(9)6-5(7)3-8-2/h3H2,1-2H3,(H,6,7,9).
What are the key properties of N-ethanethioyl-2-methoxyacetamide?
N-ethanethioyl-2-methoxyacetamide has a molecular weight of 147.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-2-methoxyacetamide is sourced from PubChem (CID 140553789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).