SpectraBase Spectrum ID |
8IXGD66yvPE |
Name |
2-Thiothinone |
CAS Registry Number |
24065-17-6 |
Classification |
Cathinone analog designer drug |
Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
169.056135151 u |
Formula |
C8H11NOS |
InChI |
InChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3 |
InChIKey |
DOZQPYDMJMLVKX-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
169.242 g/mol |
Nominal Mass |
169 u |
Quality |
1000 |
Retention Index |
1327 |
SMILES |
C(C=1SC=CC1)(C(NC)C)=O |
SPLASH |
splash10-0a4i-9000000000-52ef945f75cd0c121637 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
MTP
Thiothinone
bk-MPA
2-(Methylamino)-1-(thiophen-2-yl)propan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_029167 |