(2E)-2-methoxyiminoethanethioamide

C3H6N2OS — CID 18957928

IUPAC(2E)-2-methoxyiminoethanethioamide
SMILESCO/N=C/C(N)=S
InChIInChI=1S/C3H6N2OS/c1-6-5-2-3(4)7/h2H,1H3,(H2,4,7)/b5-2+
InChIKeyZRJZKFUWIUHXNH-GORDUTHDSA-N
MW118.16 g/mol
LogP-0.10
Rot. Bonds2

About (2E)-2-methoxyiminoethanethioamide

(2E)-2-methoxyiminoethanethioamide (PubChem CID 18957928) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is (2E)-2-methoxyiminoethanethioamide.

Molecular Properties

Compound Name(2E)-2-methoxyiminoethanethioamide
PubChem CID18957928
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name(2E)-2-methoxyiminoethanethioamide
SMILESCO/N=C/C(N)=S
InChIInChI=1S/C3H6N2OS/c1-6-5-2-3(4)7/h2H,1H3,(H2,4,7)/b5-2+
InChIKeyZRJZKFUWIUHXNH-GORDUTHDSA-N
XLogP-0.10
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyiminoethanethioamide?
The IUPAC name of (2E)-2-methoxyiminoethanethioamide (CID 18957928) is (2E)-2-methoxyiminoethanethioamide.
What is the SMILES notation for (2E)-2-methoxyiminoethanethioamide?
The canonical SMILES for (2E)-2-methoxyiminoethanethioamide is CO/N=C/C(N)=S.
What is the InChIKey of (2E)-2-methoxyiminoethanethioamide?
The InChIKey is ZRJZKFUWIUHXNH-GORDUTHDSA-N. The full InChI is InChI=1S/C3H6N2OS/c1-6-5-2-3(4)7/h2H,1H3,(H2,4,7)/b5-2+.
What are the key properties of (2E)-2-methoxyiminoethanethioamide?
(2E)-2-methoxyiminoethanethioamide has a molecular weight of 118.16 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 (2E)-2-methoxyiminoethanethioamide is sourced from PubChem (CID 18957928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).