| SpectraBase Spectrum ID |
EsdosPQqv6Z |
| Name |
2-{[2-(Tert-butylthio)ethyl]thio}ethanethiol, methylthiocarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.078527821 u |
| Formula |
C10H21NOS3 |
| InChI |
InChI=1S/C10H21NOS3/c1-10(2,3)15-8-6-13-5-7-14-9(12)11-4/h5-8H2,1-4H3,(H,11,12) |
| InChIKey |
WGFQAOOSTCNAMW-UHFFFAOYSA-N |
| Molecular Weight |
267.464 g/mol |
| SMILES |
N(C(SCCSCCSC(C)(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.858917 |
![2-{[2-(Tert-butylthio)ethyl]thio}ethanethiol, methylthiocarbamate](/api/spectrum/EsdosPQqv6Z/structure.png?h=300&w=458 "2-{[2-(Tert-butylthio)ethyl]thio}ethanethiol, methylthiocarbamate")
