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

*Links on SpectraBase are not permalinks.
S-[2-[[[2-(dimethylcarbamoylsulfanyl)phenyl]methyl-(2-thienylmethyl)amino]methyl]phenyl] N,N-dimethylcarbamothioate
SpectraBase Compound ID ChTMQJIzqqW
InChI InChI=1S/C25H29N3O2S3/c1-26(2)24(29)32-22-13-7-5-10-19(22)16-28(18-21-12-9-15-31-21)17-20-11-6-8-14-23(20)33-25(30)27(3)4/h5-15H,16-18H2,1-4H3
InChIKey MKTAWKCVAYZQQL-UHFFFAOYSA-N
Mol Weight 499.71 g/mol
Molecular Formula C25H29N3O2S3
Exact Mass 499.142191 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 1LQqaabYhbJ
Name S-[2-[[[2-(dimethylcarbamoylsulfanyl)phenyl]methyl-(2-thienylmethyl)amino]methyl]phenyl] N,N-dimethylcarbamothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O2S3
InChI InChI=1S/C25H29N3O2S3/c1-26(2)24(29)32-22-13-7-5-10-19(22)16-28(18-21-12-9-15-31-21)17-20-11-6-8-14-23(20)33-25(30)27(3)4/h5-15H,16-18H2,1-4H3
InChIKey MKTAWKCVAYZQQL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 2010
Ionization Type EI
Literature Reference DOI 10.1002/ejic.202100105
Molecular Weight 499.706 g/mol
SMILES c1(CN(Cc2sccc2)Cc2c(cccc2)SC(N(C)C)=O)ccccc1SC(N(C)C)=O
SPLASH splash10-00dj-9403000000-e5d8ed278d596dedc4a5
Source of Spectrum U2-2021-SM10-L2a
Wiley ID 1851871