oxido(thiophene-2-carbonyl)azanium

C5H5NO2S — CID 141173864

IUPACoxido(thiophene-2-carbonyl)azanium
SMILESO=C([NH2+][O-])c1cccs1
InChIInChI=1S/C5H5NO2S/c7-5(6-8)4-2-1-3-9-4/h1-3H,6H2
InChIKeyOBDFLARAVWTIJL-UHFFFAOYSA-N
MW143.17 g/mol
LogP-0.05
Rot. Bonds1

About oxido(thiophene-2-carbonyl)azanium

oxido(thiophene-2-carbonyl)azanium (PubChem CID 141173864) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is oxido(thiophene-2-carbonyl)azanium.

Molecular Properties

Compound Nameoxido(thiophene-2-carbonyl)azanium
PubChem CID141173864
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Nameoxido(thiophene-2-carbonyl)azanium
SMILESO=C([NH2+][O-])c1cccs1
InChIInChI=1S/C5H5NO2S/c7-5(6-8)4-2-1-3-9-4/h1-3H,6H2
InChIKeyOBDFLARAVWTIJL-UHFFFAOYSA-N
XLogP-0.05
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium thiophene-2-carboxylate
CID 23672340
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
S-hydroxy thiophene-2-carbothioate
CID 134893534
[10-(thiophene-2-carbonyl)-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-thiophen-2-ylmethanone
CID 102424318
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
calcium;bis(thiophene-2-carboxylate);tris(thiophene-2-carboxylic acid)
CID 158464117
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214

Frequently Asked Questions

What is the IUPAC name of oxido(thiophene-2-carbonyl)azanium?
The IUPAC name of oxido(thiophene-2-carbonyl)azanium (CID 141173864) is oxido(thiophene-2-carbonyl)azanium.
What is the SMILES notation for oxido(thiophene-2-carbonyl)azanium?
The canonical SMILES for oxido(thiophene-2-carbonyl)azanium is O=C([NH2+][O-])c1cccs1.
What is the InChIKey of oxido(thiophene-2-carbonyl)azanium?
The InChIKey is OBDFLARAVWTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5(6-8)4-2-1-3-9-4/h1-3H,6H2.
What are the key properties of oxido(thiophene-2-carbonyl)azanium?
oxido(thiophene-2-carbonyl)azanium has a molecular weight of 143.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(thiophene-2-carbonyl)azanium is sourced from PubChem (CID 141173864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).