2-(1-benzothiophen-2-yl)benzotriazole

C14H9N3S — CID 134338012

IUPAC2-(1-benzothiophen-2-yl)benzotriazole
SMILESc1ccc2sc(-n3nc4ccccc4n3)cc2c1
InChIInChI=1S/C14H9N3S/c1-4-8-13-10(5-1)9-14(18-13)17-15-11-6-2-3-7-12(11)16-17/h1-9H
InChIKeyVXUBSINGHDYMBM-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.64
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)benzotriazole

2-(1-benzothiophen-2-yl)benzotriazole (PubChem CID 134338012) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)benzotriazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)benzotriazole
PubChem CID134338012
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name2-(1-benzothiophen-2-yl)benzotriazole
SMILESc1ccc2sc(-n3nc4ccccc4n3)cc2c1
InChIInChI=1S/C14H9N3S/c1-4-8-13-10(5-1)9-14(18-13)17-15-11-6-2-3-7-12(11)16-17/h1-9H
InChIKeyVXUBSINGHDYMBM-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)benzotriazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)benzotriazole (CID 134338012) is 2-(1-benzothiophen-2-yl)benzotriazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)benzotriazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)benzotriazole is c1ccc2sc(-n3nc4ccccc4n3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)benzotriazole?
The InChIKey is VXUBSINGHDYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c1-4-8-13-10(5-1)9-14(18-13)17-15-11-6-2-3-7-12(11)16-17/h1-9H.
What are the key properties of 2-(1-benzothiophen-2-yl)benzotriazole?
2-(1-benzothiophen-2-yl)benzotriazole has a molecular weight of 251.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)benzotriazole is sourced from PubChem (CID 134338012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).