Brassitin

CAS Registry Number®

113866-42-5

CAS Name

Brassitin

Molecular Formula

C11H12N2OS

Molecular Mass

220.29

Cite this Page

Brassitin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113866-42-5 (retrieved 2024-11-22) (CAS RN: 113866-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-111 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12N2OS/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)

InChIKey

InChIKey=GHGDPZHQDKPWOJ-UHFFFAOYSA-N

SMILES

C(NC(SC)=O)C=1C=2C(NC1)=CC=CC2

Canonical SMILES

O=C(SC)NCC1=CNC=2C=CC=CC21

Other Names for this Substance

  • Carbamothioic acid, N-(1H-indol-3-ylmethyl)-, S-methyl ester
  • Carbamothioic acid, (1H-indol-3-ylmethyl)-, S-methyl ester
  • Brassitine
  • Brassitin