2-(2-ethylsulfanylphenyl)-6-methylindazole

C16H16N2S — CID 118200940

IUPAC2-(2-ethylsulfanylphenyl)-6-methylindazole
SMILESCCSc1ccccc1-n1cc2ccc(C)cc2n1
InChIInChI=1S/C16H16N2S/c1-3-19-16-7-5-4-6-15(16)18-11-13-9-8-12(2)10-14(13)17-18/h4-11H,3H2,1-2H3
InChIKeyHONXGNYZWQBENR-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.45
Rot. Bonds3

About 2-(2-ethylsulfanylphenyl)-6-methylindazole

2-(2-ethylsulfanylphenyl)-6-methylindazole (PubChem CID 118200940) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-6-methylindazole.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-6-methylindazole
PubChem CID118200940
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(2-ethylsulfanylphenyl)-6-methylindazole
SMILESCCSc1ccccc1-n1cc2ccc(C)cc2n1
InChIInChI=1S/C16H16N2S/c1-3-19-16-7-5-4-6-15(16)18-11-13-9-8-12(2)10-14(13)17-18/h4-11H,3H2,1-2H3
InChIKeyHONXGNYZWQBENR-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-6-methylindazole?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-6-methylindazole (CID 118200940) is 2-(2-ethylsulfanylphenyl)-6-methylindazole.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-6-methylindazole?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-6-methylindazole is CCSc1ccccc1-n1cc2ccc(C)cc2n1.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-6-methylindazole?
The InChIKey is HONXGNYZWQBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-3-19-16-7-5-4-6-15(16)18-11-13-9-8-12(2)10-14(13)17-18/h4-11H,3H2,1-2H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-6-methylindazole?
2-(2-ethylsulfanylphenyl)-6-methylindazole has a molecular weight of 268.38 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-6-methylindazole is sourced from PubChem (CID 118200940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).