methoxyimino(sulfanylidene)methane

C2H3NOS — CID 100931831

IUPACmethoxyimino(sulfanylidene)methane
SMILESCON=C=S
InChIInChI=1S/C2H3NOS/c1-4-3-2-5/h1H3
InChIKeyYEZSVFNPDQLJJK-UHFFFAOYSA-N
MW89.12 g/mol
LogP0.65
Rot. Bonds1

About methoxyimino(sulfanylidene)methane

methoxyimino(sulfanylidene)methane (PubChem CID 100931831) has the molecular formula C2H3NOS and a molecular weight of 89.12 g/mol. Its IUPAC name is methoxyimino(sulfanylidene)methane.

Molecular Properties

Compound Namemethoxyimino(sulfanylidene)methane
PubChem CID100931831
Molecular FormulaC2H3NOS
Molecular Weight89.12 g/mol
Exact Mass88.99
IUPAC Namemethoxyimino(sulfanylidene)methane
SMILESCON=C=S
InChIInChI=1S/C2H3NOS/c1-4-3-2-5/h1H3
InChIKeyYEZSVFNPDQLJJK-UHFFFAOYSA-N
XLogP0.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
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 methoxyimino(sulfanylidene)methane?
The IUPAC name of methoxyimino(sulfanylidene)methane (CID 100931831) is methoxyimino(sulfanylidene)methane.
What is the SMILES notation for methoxyimino(sulfanylidene)methane?
The canonical SMILES for methoxyimino(sulfanylidene)methane is CON=C=S.
What is the InChIKey of methoxyimino(sulfanylidene)methane?
The InChIKey is YEZSVFNPDQLJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NOS/c1-4-3-2-5/h1H3.
What are the key properties of methoxyimino(sulfanylidene)methane?
methoxyimino(sulfanylidene)methane has a molecular weight of 89.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyimino(sulfanylidene)methane is sourced from PubChem (CID 100931831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).