1-methyl-7-methylsulfanylindazole

C9H10N2S — CID 146208796

IUPAC1-methyl-7-methylsulfanylindazole
SMILESCSc1cccc2cnn(C)c12
InChIInChI=1S/C9H10N2S/c1-11-9-7(6-10-11)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyRGGYZZSLUANFDE-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.30
Rot. Bonds1

About 1-methyl-7-methylsulfanylindazole

1-methyl-7-methylsulfanylindazole (PubChem CID 146208796) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-methyl-7-methylsulfanylindazole.

Molecular Properties

Compound Name1-methyl-7-methylsulfanylindazole
PubChem CID146208796
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name1-methyl-7-methylsulfanylindazole
SMILESCSc1cccc2cnn(C)c12
InChIInChI=1S/C9H10N2S/c1-11-9-7(6-10-11)4-3-5-8(9)12-2/h3-6H,1-2H3
InChIKeyRGGYZZSLUANFDE-UHFFFAOYSA-N
XLogP2.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylsulfanylindazole?
The IUPAC name of 1-methyl-7-methylsulfanylindazole (CID 146208796) is 1-methyl-7-methylsulfanylindazole.
What is the SMILES notation for 1-methyl-7-methylsulfanylindazole?
The canonical SMILES for 1-methyl-7-methylsulfanylindazole is CSc1cccc2cnn(C)c12.
What is the InChIKey of 1-methyl-7-methylsulfanylindazole?
The InChIKey is RGGYZZSLUANFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-11-9-7(6-10-11)4-3-5-8(9)12-2/h3-6H,1-2H3.
What are the key properties of 1-methyl-7-methylsulfanylindazole?
1-methyl-7-methylsulfanylindazole has a molecular weight of 178.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylsulfanylindazole is sourced from PubChem (CID 146208796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).