SpectraBase Spectrum ID |
3rru1PSULpy |
Name |
2-[(2'-Nitrobenzyl)sulfanyl]-benzohtiazole |
Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1567811 moved to the Legacy library |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C14H10N2O2S2 |
InChI |
InChI=1S/C14H10N2O2S2/c17-16(18)12-7-3-1-5-10(12)9-19-14-15-11-6-2-4-8-13(11)20-14/h1-8H,9H2 |
InChIKey |
QMXKSFKRFXVVNW-UHFFFAOYSA-N |
Molecular Weight |
302.366 g/mol |
SMILES |
c1(nc2ccccc2s1)SCc1c(N(=O)=O)cccc1 |
SPLASH |
splash10-014i-3921000000-8e70e5fed1ca9dfa5bab |
Source of Spectrum |
AJ-42-155-3 |
Synonyms |
2-[(2-nitrophenyl)methylthio]-1,3-benzothiazole
2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzothiazole |
Wiley ID |
1821351 |