2-methoxycarbonylthiophene-3-diazonium

C6H5N2O2S+ — CID 2780248

IUPAC2-methoxycarbonylthiophene-3-diazonium
SMILESCOC(=O)c1sccc1[N+]#N
InChIInChI=1S/C6H5N2O2S/c1-10-6(9)5-4(8-7)2-3-11-5/h2-3H,1H3/q+1
InChIKeySQNNUEWLMRDXHI-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.02
Rot. Bonds1

About 2-methoxycarbonylthiophene-3-diazonium

2-methoxycarbonylthiophene-3-diazonium (PubChem CID 2780248) has the molecular formula C6H5N2O2S+ and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-methoxycarbonylthiophene-3-diazonium.

Molecular Properties

Compound Name2-methoxycarbonylthiophene-3-diazonium
PubChem CID2780248
Molecular FormulaC6H5N2O2S+
Molecular Weight169.19 g/mol
Exact Mass169.01
IUPAC Name2-methoxycarbonylthiophene-3-diazonium
SMILESCOC(=O)c1sccc1[N+]#N
InChIInChI=1S/C6H5N2O2S/c1-10-6(9)5-4(8-7)2-3-11-5/h2-3H,1H3/q+1
InChIKeySQNNUEWLMRDXHI-UHFFFAOYSA-N
XLogP2.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxycarbonylthiophene-3-diazonium tetrafluoroborate
CID 2780247
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(trideuteriomethyl)thiophene-2-carboxylate
CID 155662295
methyl 3-(2,3-dicyanoprop-1-enylamino)thiophene-2-carboxylate
CID 90146283
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
CID 156531143
methyl 2-acetylthiophene-3-carboxylate
CID 13447179
methyl 3-(1-iodoethyl)thiophene-2-carboxylate
CID 54326212
methyl 3-(2-cyanoethenyl)thiophene-2-carboxylate
CID 169483324
methyl 3-(aminomethyl)thiophene-2-carboxylate;methyl 3-(bromomethyl)thiophene-2-carboxylate
CID 157354994
methyl 3-[8-(2-methoxycarbonylthiophen-3-yl)oxyoctoxy]thiophene-2-carboxylate
CID 11015443

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylthiophene-3-diazonium?
The IUPAC name of 2-methoxycarbonylthiophene-3-diazonium (CID 2780248) is 2-methoxycarbonylthiophene-3-diazonium.
What is the SMILES notation for 2-methoxycarbonylthiophene-3-diazonium?
The canonical SMILES for 2-methoxycarbonylthiophene-3-diazonium is COC(=O)c1sccc1[N+]#N.
What is the InChIKey of 2-methoxycarbonylthiophene-3-diazonium?
The InChIKey is SQNNUEWLMRDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2S/c1-10-6(9)5-4(8-7)2-3-11-5/h2-3H,1H3/q+1.
What are the key properties of 2-methoxycarbonylthiophene-3-diazonium?
2-methoxycarbonylthiophene-3-diazonium has a molecular weight of 169.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylthiophene-3-diazonium is sourced from PubChem (CID 2780248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).