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

*Links on SpectraBase are not permalinks.

5-(Benzylthio)-3-methyl-1,3,4-thiadiazole-2-thione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

5-(Benzylthio)-3-methyl-1,3,4-thiadiazole-2-thione
SpectraBase Compound ID GLRvrxVCxYy
InChI InChI=1S/C10H10N2S3/c1-12-10(13)15-9(11-12)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey FSOKUTMXUPEAQJ-UHFFFAOYSA-N
Mol Weight 254.38 g/mol
Molecular Formula C10H10N2S3
Exact Mass 254.000612 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 9hJObVM89QV
Name 5-(Benzylthio)-3-methyl-1,3,4-thiadiazole-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.000611852 u
Formula C10H10N2S3
InChI InChI=1S/C10H10N2S3/c1-12-10(13)15-9(11-12)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey FSOKUTMXUPEAQJ-UHFFFAOYSA-N
Molecular Weight 254.384 g/mol
SMILES C1(N(N=C(S1)SCC=1C=CC=CC1)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90837