3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole

C11H12FNS — CID 146400396

IUPAC3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
SMILESCCc1c(SC)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H12FNS/c1-3-8-9-6-7(12)4-5-10(9)13-11(8)14-2/h4-6,13H,3H2,1-2H3
InChIKeyWTSLEOOGTNSHLO-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.59
Rot. Bonds2

About 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole

3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole (PubChem CID 146400396) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
PubChem CID146400396
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
SMILESCCc1c(SC)[nH]c2ccc(F)cc12
InChIInChI=1S/C11H12FNS/c1-3-8-9-6-7(12)4-5-10(9)13-11(8)14-2/h4-6,13H,3H2,1-2H3
InChIKeyWTSLEOOGTNSHLO-UHFFFAOYSA-N
XLogP3.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5-fluoro-2-methylsulfanyl-1H-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 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole?
The IUPAC name of 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole (CID 146400396) is 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole.
What is the SMILES notation for 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole?
The canonical SMILES for 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole is CCc1c(SC)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole?
The InChIKey is WTSLEOOGTNSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-3-8-9-6-7(12)4-5-10(9)13-11(8)14-2/h4-6,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole?
3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole has a molecular weight of 209.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole is sourced from PubChem (CID 146400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).