2-thiophen-2-ylbenzotriazole

C10H7N3S — CID 658026

IUPAC2-thiophen-2-ylbenzotriazole
SMILESc1csc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C10H7N3S/c1-2-5-9-8(4-1)11-13(12-9)10-6-3-7-14-10/h1-7H
InChIKeyPJFSIKAIVQXQMG-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.48
Rot. Bonds1

About 2-thiophen-2-ylbenzotriazole

2-thiophen-2-ylbenzotriazole (PubChem CID 658026) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-thiophen-2-ylbenzotriazole.

Molecular Properties

Compound Name2-thiophen-2-ylbenzotriazole
PubChem CID658026
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-thiophen-2-ylbenzotriazole
SMILESc1csc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C10H7N3S/c1-2-5-9-8(4-1)11-13(12-9)10-6-3-7-14-10/h1-7H
InChIKeyPJFSIKAIVQXQMG-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylbenzotriazole?
The IUPAC name of 2-thiophen-2-ylbenzotriazole (CID 658026) is 2-thiophen-2-ylbenzotriazole.
What is the SMILES notation for 2-thiophen-2-ylbenzotriazole?
The canonical SMILES for 2-thiophen-2-ylbenzotriazole is c1csc(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-thiophen-2-ylbenzotriazole?
The InChIKey is PJFSIKAIVQXQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-5-9-8(4-1)11-13(12-9)10-6-3-7-14-10/h1-7H.
What are the key properties of 2-thiophen-2-ylbenzotriazole?
2-thiophen-2-ylbenzotriazole has a molecular weight of 201.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylbenzotriazole is sourced from PubChem (CID 658026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).