1-methyl-3-methylsulfanylindole

C10H11NS — CID 2777819

IUPAC1-methyl-3-methylsulfanylindole
SMILESCSc1cn(C)c2ccccc12
InChIInChI=1S/C10H11NS/c1-11-7-10(12-2)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyLRPYKXTWLJNQFQ-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.90
Rot. Bonds1

About 1-methyl-3-methylsulfanylindole

1-methyl-3-methylsulfanylindole (PubChem CID 2777819) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanylindole.

Molecular Properties

Compound Name1-methyl-3-methylsulfanylindole
PubChem CID2777819
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name1-methyl-3-methylsulfanylindole
SMILESCSc1cn(C)c2ccccc12
InChIInChI=1S/C10H11NS/c1-11-7-10(12-2)8-5-3-4-6-9(8)11/h3-7H,1-2H3
InChIKeyLRPYKXTWLJNQFQ-UHFFFAOYSA-N
XLogP2.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanylindole?
The IUPAC name of 1-methyl-3-methylsulfanylindole (CID 2777819) is 1-methyl-3-methylsulfanylindole.
What is the SMILES notation for 1-methyl-3-methylsulfanylindole?
The canonical SMILES for 1-methyl-3-methylsulfanylindole is CSc1cn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-methylsulfanylindole?
The InChIKey is LRPYKXTWLJNQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-11-7-10(12-2)8-5-3-4-6-9(8)11/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanylindole?
1-methyl-3-methylsulfanylindole has a molecular weight of 177.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanylindole is sourced from PubChem (CID 2777819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).