1-methyl-3-(trifluoromethylsulfanyl)indole

C10H8F3NS — CID 132561621

IUPAC1-methyl-3-(trifluoromethylsulfanyl)indole
SMILESCn1cc(SC(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NS/c1-14-6-9(15-10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3
InChIKeyHXAQPLVFYMOXGF-UHFFFAOYSA-N
MW231.24 g/mol
LogP3.79
Rot. Bonds1

About 1-methyl-3-(trifluoromethylsulfanyl)indole

1-methyl-3-(trifluoromethylsulfanyl)indole (PubChem CID 132561621) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethylsulfanyl)indole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethylsulfanyl)indole
PubChem CID132561621
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC Name1-methyl-3-(trifluoromethylsulfanyl)indole
SMILESCn1cc(SC(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NS/c1-14-6-9(15-10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3
InChIKeyHXAQPLVFYMOXGF-UHFFFAOYSA-N
XLogP3.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(trifluoromethylsulfanyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethylsulfanyl)indole?
The IUPAC name of 1-methyl-3-(trifluoromethylsulfanyl)indole (CID 132561621) is 1-methyl-3-(trifluoromethylsulfanyl)indole.
What is the SMILES notation for 1-methyl-3-(trifluoromethylsulfanyl)indole?
The canonical SMILES for 1-methyl-3-(trifluoromethylsulfanyl)indole is Cn1cc(SC(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-3-(trifluoromethylsulfanyl)indole?
The InChIKey is HXAQPLVFYMOXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c1-14-6-9(15-10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethylsulfanyl)indole?
1-methyl-3-(trifluoromethylsulfanyl)indole has a molecular weight of 231.24 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethylsulfanyl)indole is sourced from PubChem (CID 132561621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).