2-(diazomethyl)-5-methylthiophene

C6H6N2S — CID 119092237

IUPAC2-(diazomethyl)-5-methylthiophene
SMILESCc1ccc(C=[N+]=[N-])s1
InChIInChI=1S/C6H6N2S/c1-5-2-3-6(9-5)4-8-7/h2-4H,1H3
InChIKeyNNDYFBFJXFPJSQ-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.71
Rot. Bonds1

About 2-(diazomethyl)-5-methylthiophene

2-(diazomethyl)-5-methylthiophene (PubChem CID 119092237) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(diazomethyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(diazomethyl)-5-methylthiophene
PubChem CID119092237
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name2-(diazomethyl)-5-methylthiophene
SMILESCc1ccc(C=[N+]=[N-])s1
InChIInChI=1S/C6H6N2S/c1-5-2-3-6(9-5)4-8-7/h2-4H,1H3
InChIKeyNNDYFBFJXFPJSQ-UHFFFAOYSA-N
XLogP1.71
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diazomethyl)-5-methylthiophene?
The IUPAC name of 2-(diazomethyl)-5-methylthiophene (CID 119092237) is 2-(diazomethyl)-5-methylthiophene.
What is the SMILES notation for 2-(diazomethyl)-5-methylthiophene?
The canonical SMILES for 2-(diazomethyl)-5-methylthiophene is Cc1ccc(C=[N+]=[N-])s1.
What is the InChIKey of 2-(diazomethyl)-5-methylthiophene?
The InChIKey is NNDYFBFJXFPJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-5-2-3-6(9-5)4-8-7/h2-4H,1H3.
What are the key properties of 2-(diazomethyl)-5-methylthiophene?
2-(diazomethyl)-5-methylthiophene has a molecular weight of 138.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazomethyl)-5-methylthiophene is sourced from PubChem (CID 119092237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).