5-methoxycarbonylthiophene-3-diazonium

C6H5N2O2S+ — CID 15533896

IUPAC5-methoxycarbonylthiophene-3-diazonium
SMILESCOC(=O)c1cc([N+]#N)cs1
InChIInChI=1S/C6H5N2O2S/c1-10-6(9)5-2-4(8-7)3-11-5/h2-3H,1H3/q+1
InChIKeyFQCUUAOITCYSGO-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.02
Rot. Bonds1

About 5-methoxycarbonylthiophene-3-diazonium

5-methoxycarbonylthiophene-3-diazonium (PubChem CID 15533896) has the molecular formula C6H5N2O2S+ and a molecular weight of 169.19 g/mol. Its IUPAC name is 5-methoxycarbonylthiophene-3-diazonium.

Molecular Properties

Compound Name5-methoxycarbonylthiophene-3-diazonium
PubChem CID15533896
Molecular FormulaC6H5N2O2S+
Molecular Weight169.19 g/mol
Exact Mass169.01
IUPAC Name5-methoxycarbonylthiophene-3-diazonium
SMILESCOC(=O)c1cc([N+]#N)cs1
InChIInChI=1S/C6H5N2O2S/c1-10-6(9)5-2-4(8-7)3-11-5/h2-3H,1H3/q+1
InChIKeyFQCUUAOITCYSGO-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

5-methoxycarbonylthiophene-3-diazonium hexafluorophosphate
CID 15533895
methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
CID 22305443
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
methyl 5,6,7-trichlorocyclopenta[c]thiopyran-3-carboxylate
CID 13162960
amino-(5-methoxycarbonylthiophen-3-yl)methanesulfonic acid
CID 174448906
4-methoxycarbonylbenzenediazonium tetrafluoroborate
CID 11776859
methyl 4-(4-aminobutylsulfamoyl)thiophene-2-carboxylate
CID 120583848
methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
CID 169144684
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
2-methoxycarbonylthiophene-3-diazonium
CID 2780248

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylthiophene-3-diazonium?
The IUPAC name of 5-methoxycarbonylthiophene-3-diazonium (CID 15533896) is 5-methoxycarbonylthiophene-3-diazonium.
What is the SMILES notation for 5-methoxycarbonylthiophene-3-diazonium?
The canonical SMILES for 5-methoxycarbonylthiophene-3-diazonium is COC(=O)c1cc([N+]#N)cs1.
What is the InChIKey of 5-methoxycarbonylthiophene-3-diazonium?
The InChIKey is FQCUUAOITCYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2S/c1-10-6(9)5-2-4(8-7)3-11-5/h2-3H,1H3/q+1.
What are the key properties of 5-methoxycarbonylthiophene-3-diazonium?
5-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 5-methoxycarbonylthiophene-3-diazonium is sourced from PubChem (CID 15533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).