1-(5-methylthiophen-2-yl)benzotriazole

C11H9N3S — CID 132572983

IUPAC1-(5-methylthiophen-2-yl)benzotriazole
SMILESCc1ccc(-n2nnc3ccccc32)s1
InChIInChI=1S/C11H9N3S/c1-8-6-7-11(15-8)14-10-5-3-2-4-9(10)12-13-14/h2-7H,1H3
InChIKeyROMNXTFPCOYWGG-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.79
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)benzotriazole

1-(5-methylthiophen-2-yl)benzotriazole (PubChem CID 132572983) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)benzotriazole.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)benzotriazole
PubChem CID132572983
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name1-(5-methylthiophen-2-yl)benzotriazole
SMILESCc1ccc(-n2nnc3ccccc32)s1
InChIInChI=1S/C11H9N3S/c1-8-6-7-11(15-8)14-10-5-3-2-4-9(10)12-13-14/h2-7H,1H3
InChIKeyROMNXTFPCOYWGG-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)benzotriazole?
The IUPAC name of 1-(5-methylthiophen-2-yl)benzotriazole (CID 132572983) is 1-(5-methylthiophen-2-yl)benzotriazole.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)benzotriazole?
The canonical SMILES for 1-(5-methylthiophen-2-yl)benzotriazole is Cc1ccc(-n2nnc3ccccc32)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)benzotriazole?
The InChIKey is ROMNXTFPCOYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-8-6-7-11(15-8)14-10-5-3-2-4-9(10)12-13-14/h2-7H,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)benzotriazole?
1-(5-methylthiophen-2-yl)benzotriazole has a molecular weight of 215.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)benzotriazole is sourced from PubChem (CID 132572983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).