2-(1H-indol-3-ylsulfanyl)aniline

C14H12N2S — CID 693281

IUPAC2-(1H-indol-3-ylsulfanyl)aniline
SMILESNc1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2S/c15-11-6-2-4-8-13(11)17-14-9-16-12-7-3-1-5-10(12)14/h1-9,16H,15H2
InChIKeyPEQZTTVBRREURO-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.90
Rot. Bonds2

About 2-(1H-indol-3-ylsulfanyl)aniline

2-(1H-indol-3-ylsulfanyl)aniline (PubChem CID 693281) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfanyl)aniline
PubChem CID693281
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name2-(1H-indol-3-ylsulfanyl)aniline
SMILESNc1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C14H12N2S/c15-11-6-2-4-8-13(11)17-14-9-16-12-7-3-1-5-10(12)14/h1-9,16H,15H2
InChIKeyPEQZTTVBRREURO-UHFFFAOYSA-N
XLogP3.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfanyl)aniline?
The IUPAC name of 2-(1H-indol-3-ylsulfanyl)aniline (CID 693281) is 2-(1H-indol-3-ylsulfanyl)aniline.
What is the SMILES notation for 2-(1H-indol-3-ylsulfanyl)aniline?
The canonical SMILES for 2-(1H-indol-3-ylsulfanyl)aniline is Nc1ccccc1Sc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylsulfanyl)aniline?
The InChIKey is PEQZTTVBRREURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c15-11-6-2-4-8-13(11)17-14-9-16-12-7-3-1-5-10(12)14/h1-9,16H,15H2.
What are the key properties of 2-(1H-indol-3-ylsulfanyl)aniline?
2-(1H-indol-3-ylsulfanyl)aniline has a molecular weight of 240.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfanyl)aniline is sourced from PubChem (CID 693281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).