For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-amino-3-phenyl-, ethyl ester
SpectraBase Compound ID KH2APXNpCOa
InChI InChI=1S/C14H12N2O2S2/c1-2-18-13(17)12-10(15)9-11(16-20-14(9)19-12)8-6-4-3-5-7-8/h3-7H,2,15H2,1H3
InChIKey MHMVLLLKSCIBSQ-UHFFFAOYSA-N
Mol Weight 304.38 g/mol
Molecular Formula C14H12N2O2S2
Exact Mass 304.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CDpzwoHbebp
Name Thieno[3,2-d]isothiazole-5-carboxylic acid, 4-amino-3-phenyl-, ethyl ester
CAS Registry Number 126938-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S2
InChI InChI=1S/C14H12N2O2S2/c1-2-18-13(17)12-10(15)9-11(16-20-14(9)19-12)8-6-4-3-5-7-8/h3-7H,2,15H2,1H3
InChIKey MHMVLLLKSCIBSQ-UHFFFAOYSA-N
Molecular Weight 304.382 g/mol
SMILES Nc1c(C(=O)OCC)sc2c1c(ns2)-c1ccccc1
SPLASH splash10-0zfr-3189000000-cd4b5f8864c44b09d194
Source of Spectrum B-42-1299-3
Synonyms Ethyl 4-amino-3-phenylthieno[3,2-d]isothiazole-5-carboxylate
Wiley ID 1306101