1-(2-thiophen-2-ylethoxy)benzotriazole

C12H11N3OS — CID 86804198

IUPAC1-(2-thiophen-2-ylethoxy)benzotriazole
SMILESc1csc(CCOn2nnc3ccccc32)c1
InChIInChI=1S/C12H11N3OS/c1-2-6-12-11(5-1)13-14-15(12)16-8-7-10-4-3-9-17-10/h1-6,9H,7-8H2
InChIKeyXUBCNYUQKGEQLR-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.16
Rot. Bonds4

About 1-(2-thiophen-2-ylethoxy)benzotriazole

1-(2-thiophen-2-ylethoxy)benzotriazole (PubChem CID 86804198) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylethoxy)benzotriazole.

Molecular Properties

Compound Name1-(2-thiophen-2-ylethoxy)benzotriazole
PubChem CID86804198
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name1-(2-thiophen-2-ylethoxy)benzotriazole
SMILESc1csc(CCOn2nnc3ccccc32)c1
InChIInChI=1S/C12H11N3OS/c1-2-6-12-11(5-1)13-14-15(12)16-8-7-10-4-3-9-17-10/h1-6,9H,7-8H2
InChIKeyXUBCNYUQKGEQLR-UHFFFAOYSA-N
XLogP2.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylethoxy)benzotriazole?
The IUPAC name of 1-(2-thiophen-2-ylethoxy)benzotriazole (CID 86804198) is 1-(2-thiophen-2-ylethoxy)benzotriazole.
What is the SMILES notation for 1-(2-thiophen-2-ylethoxy)benzotriazole?
The canonical SMILES for 1-(2-thiophen-2-ylethoxy)benzotriazole is c1csc(CCOn2nnc3ccccc32)c1.
What is the InChIKey of 1-(2-thiophen-2-ylethoxy)benzotriazole?
The InChIKey is XUBCNYUQKGEQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-6-12-11(5-1)13-14-15(12)16-8-7-10-4-3-9-17-10/h1-6,9H,7-8H2.
What are the key properties of 1-(2-thiophen-2-ylethoxy)benzotriazole?
1-(2-thiophen-2-ylethoxy)benzotriazole has a molecular weight of 245.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylethoxy)benzotriazole is sourced from PubChem (CID 86804198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).