4-(1H-Indol-3-ylthio)butanoic acid

CAS Registry Number®

187030-13-3
No image available.

CAS Name

4-(1H-Indol-3-ylthio)butanoic acid

Molecular Formula

C12H13NO2S

Molecular Mass

235.30

Cite this Page

4-(1H-Indol-3-ylthio)butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=187030-13-3 (retrieved 2024-07-27) (CAS RN: 187030-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    65-68 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2S/c14-12(15)6-3-7-16-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13H,3,6-7H2,(H,14,15)

InChIKey

InChIKey=NQJFDFYPIHKGRV-UHFFFAOYSA-N

SMILES

S(CCCC(O)=O)C=1C=2C(NC1)=CC=CC2

Canonical SMILES

O=C(O)CCCSC1=CNC=2C=CC=CC12

Other Names for this Substance

  • Butanoic acid, 4-(1H-indol-3-ylthio)-
  • 4-(1H-Indol-3-ylthio)butanoic acid
  • 4-(3-Indolylthio)butanoic acid