[3-(methoxyiminomethyl)thiophen-2-yl]methanol

C7H9NO2S — CID 86637485

IUPAC[3-(methoxyiminomethyl)thiophen-2-yl]methanol
SMILESCON=Cc1ccsc1CO
InChIInChI=1S/C7H9NO2S/c1-10-8-4-6-2-3-11-7(6)5-9/h2-4,9H,5H2,1H3
InChIKeyXBMYFOCUBHCEOA-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.22
Rot. Bonds3

About [3-(methoxyiminomethyl)thiophen-2-yl]methanol

[3-(methoxyiminomethyl)thiophen-2-yl]methanol (PubChem CID 86637485) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is [3-(methoxyiminomethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(methoxyiminomethyl)thiophen-2-yl]methanol
PubChem CID86637485
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name[3-(methoxyiminomethyl)thiophen-2-yl]methanol
SMILESCON=Cc1ccsc1CO
InChIInChI=1S/C7H9NO2S/c1-10-8-4-6-2-3-11-7(6)5-9/h2-4,9H,5H2,1H3
InChIKeyXBMYFOCUBHCEOA-UHFFFAOYSA-N
XLogP1.22
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.22
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 [3-(methoxyiminomethyl)thiophen-2-yl]methanol?
The IUPAC name of [3-(methoxyiminomethyl)thiophen-2-yl]methanol (CID 86637485) is [3-(methoxyiminomethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [3-(methoxyiminomethyl)thiophen-2-yl]methanol?
The canonical SMILES for [3-(methoxyiminomethyl)thiophen-2-yl]methanol is CON=Cc1ccsc1CO.
What is the InChIKey of [3-(methoxyiminomethyl)thiophen-2-yl]methanol?
The InChIKey is XBMYFOCUBHCEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-10-8-4-6-2-3-11-7(6)5-9/h2-4,9H,5H2,1H3.
What are the key properties of [3-(methoxyiminomethyl)thiophen-2-yl]methanol?
[3-(methoxyiminomethyl)thiophen-2-yl]methanol has a molecular weight of 171.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxyiminomethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 86637485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).