4-ethyl-3-methylsulfanyl-1H-indole

C11H13NS — CID 57002365

IUPAC4-ethyl-3-methylsulfanyl-1H-indole
SMILESCCc1cccc2[nH]cc(SC)c12
InChIInChI=1S/C11H13NS/c1-3-8-5-4-6-9-11(8)10(13-2)7-12-9/h4-7,12H,3H2,1-2H3
InChIKeyCTFMTZVIXCMBTC-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.45
Rot. Bonds2

About 4-ethyl-3-methylsulfanyl-1H-indole

4-ethyl-3-methylsulfanyl-1H-indole (PubChem CID 57002365) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-ethyl-3-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name4-ethyl-3-methylsulfanyl-1H-indole
PubChem CID57002365
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name4-ethyl-3-methylsulfanyl-1H-indole
SMILESCCc1cccc2[nH]cc(SC)c12
InChIInChI=1S/C11H13NS/c1-3-8-5-4-6-9-11(8)10(13-2)7-12-9/h4-7,12H,3H2,1-2H3
InChIKeyCTFMTZVIXCMBTC-UHFFFAOYSA-N
XLogP3.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3-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 4-ethyl-3-methylsulfanyl-1H-indole?
The IUPAC name of 4-ethyl-3-methylsulfanyl-1H-indole (CID 57002365) is 4-ethyl-3-methylsulfanyl-1H-indole.
What is the SMILES notation for 4-ethyl-3-methylsulfanyl-1H-indole?
The canonical SMILES for 4-ethyl-3-methylsulfanyl-1H-indole is CCc1cccc2[nH]cc(SC)c12.
What is the InChIKey of 4-ethyl-3-methylsulfanyl-1H-indole?
The InChIKey is CTFMTZVIXCMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-3-8-5-4-6-9-11(8)10(13-2)7-12-9/h4-7,12H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methylsulfanyl-1H-indole?
4-ethyl-3-methylsulfanyl-1H-indole has a molecular weight of 191.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylsulfanyl-1H-indole is sourced from PubChem (CID 57002365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).