1-ethyl-3-phenylsulfanylindole

C16H15NS — CID 126489260

IUPAC1-ethyl-3-phenylsulfanylindole
SMILESCCn1cc(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NS/c1-2-17-12-16(14-10-6-7-11-15(14)17)18-13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyVUTYLXZLJDRFMW-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.81
Rot. Bonds3

About 1-ethyl-3-phenylsulfanylindole

1-ethyl-3-phenylsulfanylindole (PubChem CID 126489260) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-ethyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name1-ethyl-3-phenylsulfanylindole
PubChem CID126489260
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name1-ethyl-3-phenylsulfanylindole
SMILESCCn1cc(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NS/c1-2-17-12-16(14-10-6-7-11-15(14)17)18-13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKeyVUTYLXZLJDRFMW-UHFFFAOYSA-N
XLogP4.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylsulfanylindole?
The IUPAC name of 1-ethyl-3-phenylsulfanylindole (CID 126489260) is 1-ethyl-3-phenylsulfanylindole.
What is the SMILES notation for 1-ethyl-3-phenylsulfanylindole?
The canonical SMILES for 1-ethyl-3-phenylsulfanylindole is CCn1cc(Sc2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-phenylsulfanylindole?
The InChIKey is VUTYLXZLJDRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-2-17-12-16(14-10-6-7-11-15(14)17)18-13-8-4-3-5-9-13/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-3-phenylsulfanylindole?
1-ethyl-3-phenylsulfanylindole has a molecular weight of 253.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylsulfanylindole is sourced from PubChem (CID 126489260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).