2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol

C9H11NO2S — CID 137276918

IUPAC2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol
SMILESCO/N=C/c1cc(SC)ccc1O
InChIInChI=1S/C9H11NO2S/c1-12-10-6-7-5-8(13-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+
InChIKeyCVKFYQGWCLGUPF-UXBLZVDNSA-N
MW197.26 g/mol
LogP2.09
Rot. Bonds3

About 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol

2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol (PubChem CID 137276918) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol
PubChem CID137276918
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol
SMILESCO/N=C/c1cc(SC)ccc1O
InChIInChI=1S/C9H11NO2S/c1-12-10-6-7-5-8(13-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+
InChIKeyCVKFYQGWCLGUPF-UXBLZVDNSA-N
XLogP2.09
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol?
The IUPAC name of 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol (CID 137276918) is 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol.
What is the SMILES notation for 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol?
The canonical SMILES for 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol is CO/N=C/c1cc(SC)ccc1O.
What is the InChIKey of 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol?
The InChIKey is CVKFYQGWCLGUPF-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-10-6-7-5-8(13-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+.
What are the key properties of 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol?
2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol has a molecular weight of 197.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-methoxyiminomethyl]-4-methylsulfanylphenol is sourced from PubChem (CID 137276918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).