4-methylthiophene-3-carbonyl azide

C6H5N3OS — CID 79808595

IUPAC4-methylthiophene-3-carbonyl azide
SMILESCc1cscc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H5N3OS/c1-4-2-11-3-5(4)6(10)8-9-7/h2-3H,1H3
InChIKeyGZLRNUOMWRYYGD-UHFFFAOYSA-N
MW167.19 g/mol
LogP2.51
Rot. Bonds1

About 4-methylthiophene-3-carbonyl azide

4-methylthiophene-3-carbonyl azide (PubChem CID 79808595) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-methylthiophene-3-carbonyl azide.

Molecular Properties

Compound Name4-methylthiophene-3-carbonyl azide
PubChem CID79808595
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name4-methylthiophene-3-carbonyl azide
SMILESCc1cscc1C(=O)N=[N+]=[N-]
InChIInChI=1S/C6H5N3OS/c1-4-2-11-3-5(4)6(10)8-9-7/h2-3H,1H3
InChIKeyGZLRNUOMWRYYGD-UHFFFAOYSA-N
XLogP2.51
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiophene-3-carbonyl azide?
The IUPAC name of 4-methylthiophene-3-carbonyl azide (CID 79808595) is 4-methylthiophene-3-carbonyl azide.
What is the SMILES notation for 4-methylthiophene-3-carbonyl azide?
The canonical SMILES for 4-methylthiophene-3-carbonyl azide is Cc1cscc1C(=O)N=[N+]=[N-].
What is the InChIKey of 4-methylthiophene-3-carbonyl azide?
The InChIKey is GZLRNUOMWRYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4-2-11-3-5(4)6(10)8-9-7/h2-3H,1H3.
What are the key properties of 4-methylthiophene-3-carbonyl azide?
4-methylthiophene-3-carbonyl azide has a molecular weight of 167.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiophene-3-carbonyl azide is sourced from PubChem (CID 79808595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).