2-methyl-4-thiophen-2-ylbenzotriazole

C11H9N3S — CID 141393264

IUPAC2-methyl-4-thiophen-2-ylbenzotriazole
SMILESCn1nc2cccc(-c3cccs3)c2n1
InChIInChI=1S/C11H9N3S/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3
InChIKeyDCFSXCLMZBOFRT-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-4-thiophen-2-ylbenzotriazole

2-methyl-4-thiophen-2-ylbenzotriazole (PubChem CID 141393264) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-ylbenzotriazole.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-ylbenzotriazole
PubChem CID141393264
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-methyl-4-thiophen-2-ylbenzotriazole
SMILESCn1nc2cccc(-c3cccs3)c2n1
InChIInChI=1S/C11H9N3S/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3
InChIKeyDCFSXCLMZBOFRT-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-ylbenzotriazole?
The IUPAC name of 2-methyl-4-thiophen-2-ylbenzotriazole (CID 141393264) is 2-methyl-4-thiophen-2-ylbenzotriazole.
What is the SMILES notation for 2-methyl-4-thiophen-2-ylbenzotriazole?
The canonical SMILES for 2-methyl-4-thiophen-2-ylbenzotriazole is Cn1nc2cccc(-c3cccs3)c2n1.
What is the InChIKey of 2-methyl-4-thiophen-2-ylbenzotriazole?
The InChIKey is DCFSXCLMZBOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-14-12-9-5-2-4-8(11(9)13-14)10-6-3-7-15-10/h2-7H,1H3.
What are the key properties of 2-methyl-4-thiophen-2-ylbenzotriazole?
2-methyl-4-thiophen-2-ylbenzotriazole has a molecular weight of 215.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-ylbenzotriazole is sourced from PubChem (CID 141393264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).