4-methyl-6-(1-methylsulfanylethyl)-1H-indole

C12H15NS — CID 138536368

IUPAC4-methyl-6-(1-methylsulfanylethyl)-1H-indole
SMILESCSC(C)c1cc(C)c2cc[nH]c2c1
InChIInChI=1S/C12H15NS/c1-8-6-10(9(2)14-3)7-12-11(8)4-5-13-12/h4-7,9,13H,1-3H3
InChIKeyZIRVZUQAAARMGB-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.90
Rot. Bonds2

About 4-methyl-6-(1-methylsulfanylethyl)-1H-indole

4-methyl-6-(1-methylsulfanylethyl)-1H-indole (PubChem CID 138536368) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 4-methyl-6-(1-methylsulfanylethyl)-1H-indole.

Molecular Properties

Compound Name4-methyl-6-(1-methylsulfanylethyl)-1H-indole
PubChem CID138536368
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name4-methyl-6-(1-methylsulfanylethyl)-1H-indole
SMILESCSC(C)c1cc(C)c2cc[nH]c2c1
InChIInChI=1S/C12H15NS/c1-8-6-10(9(2)14-3)7-12-11(8)4-5-13-12/h4-7,9,13H,1-3H3
InChIKeyZIRVZUQAAARMGB-UHFFFAOYSA-N
XLogP3.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylsulfanylethyl)-1H-indole?
The IUPAC name of 4-methyl-6-(1-methylsulfanylethyl)-1H-indole (CID 138536368) is 4-methyl-6-(1-methylsulfanylethyl)-1H-indole.
What is the SMILES notation for 4-methyl-6-(1-methylsulfanylethyl)-1H-indole?
The canonical SMILES for 4-methyl-6-(1-methylsulfanylethyl)-1H-indole is CSC(C)c1cc(C)c2cc[nH]c2c1.
What is the InChIKey of 4-methyl-6-(1-methylsulfanylethyl)-1H-indole?
The InChIKey is ZIRVZUQAAARMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-8-6-10(9(2)14-3)7-12-11(8)4-5-13-12/h4-7,9,13H,1-3H3.
What are the key properties of 4-methyl-6-(1-methylsulfanylethyl)-1H-indole?
4-methyl-6-(1-methylsulfanylethyl)-1H-indole has a molecular weight of 205.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylsulfanylethyl)-1H-indole is sourced from PubChem (CID 138536368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).