methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium

C7H9N2O2SY- — CID 162004220

IUPACmethanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
SMILESCS.[O-]/N=C\c1cc[n+]([O-])cc1.[Y]
InChIInChI=1S/C6H6N2O2.CH4S.Y/c9-7-5-6-1-3-8(10)4-2-6;1-2;/h1-5,9H;2H,1H3;/p-1/b7-5-;;
InChIKeyYSPMVEBXIYSNSJ-MWKZNRQPSA-M
MW274.13 g/mol
LogP0.78
Rot. Bonds1

About methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium

methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium (PubChem CID 162004220) has the molecular formula C7H9N2O2SY- and a molecular weight of 274.13 g/mol. Its IUPAC name is methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium.

Molecular Properties

Compound Namemethanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
PubChem CID162004220
Molecular FormulaC7H9N2O2SY-
Molecular Weight274.13 g/mol
Exact Mass273.94
IUPAC Namemethanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
SMILESCS.[O-]/N=C\c1cc[n+]([O-])cc1.[Y]
InChIInChI=1S/C6H6N2O2.CH4S.Y/c9-7-5-6-1-3-8(10)4-2-6;1-2;/h1-5,9H;2H,1H3;/p-1/b7-5-;;
InChIKeyYSPMVEBXIYSNSJ-MWKZNRQPSA-M
XLogP0.78
TPSA62.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(1-oxidopyridin-1-ium-4-yl)-N-propoxymethanimine
CID 20844933
N-oxido-1-phenylmethanimine
CID 3712496
(E)-1-(1-oxidopyridin-1-ium-4-yl)-N-[3-[(E)-(1-oxidopyridin-1-ium-4-yl)methylideneamino]oxypropoxy]methanimine
CID 12604360
copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
CID 171375297
4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
CID 703607
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
(E)-3-(1-oxidopyridin-1-ium-4-yl)prop-2-enoic acid
CID 55255240
cesium (Z)-1-[4-(2,2-dimethyl-3-methylidenecyclopropyl)phenyl]-N-oxidomethanimine
CID 100939825
potassium (E)-1-[4-(2,2-dimethyl-3-methylidenecyclopropyl)phenyl]-N-oxidomethanimine
CID 23686983
(NZ)-N-[(1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 135603327

Frequently Asked Questions

What is the IUPAC name of methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium?
The IUPAC name of methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium (CID 162004220) is methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium.
What is the SMILES notation for methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium?
The canonical SMILES for methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium is CS.[O-]/N=C\c1cc[n+]([O-])cc1.[Y].
What is the InChIKey of methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium?
The InChIKey is YSPMVEBXIYSNSJ-MWKZNRQPSA-M. The full InChI is InChI=1S/C6H6N2O2.CH4S.Y/c9-7-5-6-1-3-8(10)4-2-6;1-2;/h1-5,9H;2H,1H3;/p-1/b7-5-;;.
What are the key properties of methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium?
methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium has a molecular weight of 274.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium is sourced from PubChem (CID 162004220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).