1-methoxyethyl ethanimidothioate

C5H11NOS — CID 155275911

IUPAC1-methoxyethyl ethanimidothioate
SMILES[H]/N=C(\C)SC(C)OC
InChIInChI=1S/C5H11NOS/c1-4(6)8-5(2)7-3/h5-6H,1-3H3/b6-4+
InChIKeyRFYVGCJNYCWYOA-GQCTYLIASA-N
MW133.22 g/mol
LogP1.71
Rot. Bonds2

About 1-methoxyethyl ethanimidothioate

1-methoxyethyl ethanimidothioate (PubChem CID 155275911) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-methoxyethyl ethanimidothioate.

Molecular Properties

Compound Name1-methoxyethyl ethanimidothioate
PubChem CID155275911
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-methoxyethyl ethanimidothioate
SMILES[H]/N=C(\C)SC(C)OC
InChIInChI=1S/C5H11NOS/c1-4(6)8-5(2)7-3/h5-6H,1-3H3/b6-4+
InChIKeyRFYVGCJNYCWYOA-GQCTYLIASA-N
XLogP1.71
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl ethanimidothioate?
The IUPAC name of 1-methoxyethyl ethanimidothioate (CID 155275911) is 1-methoxyethyl ethanimidothioate.
What is the SMILES notation for 1-methoxyethyl ethanimidothioate?
The canonical SMILES for 1-methoxyethyl ethanimidothioate is [H]/N=C(\C)SC(C)OC.
What is the InChIKey of 1-methoxyethyl ethanimidothioate?
The InChIKey is RFYVGCJNYCWYOA-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(6)8-5(2)7-3/h5-6H,1-3H3/b6-4+.
What are the key properties of 1-methoxyethyl ethanimidothioate?
1-methoxyethyl ethanimidothioate has a molecular weight of 133.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl ethanimidothioate is sourced from PubChem (CID 155275911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).