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

*Links on SpectraBase are not permalinks.

1,3-di(2-Benzothiazolyl)-1,3-bis(mercaptomethyl)-urea

View entire compound with spectra: 1 NMR

1,3-di(2-Benzothiazolyl)-1,3-bis(mercaptomethyl)-urea
SpectraBase Compound ID ETDvEGNXC67
InChI InChI=1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)
InChIKey WYHIYIVTCWNVCW-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C17H14N4OS4
Exact Mass 418.005046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8aXJWQmq8Wi
Name 1,3-di(2-Benzothiazolyl)-1,3-bis(mercaptomethyl)-urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.005045782 u
Formula C17H14N4OS4
InChI InChI=1S/C17H14N4OS4/c22-15(18-9-23-16-20-11-5-1-3-7-13(11)25-16)19-10-24-17-21-12-6-2-4-8-14(12)26-17/h1-8H,9-10H2,(H2,18,19,22)
InChIKey WYHIYIVTCWNVCW-UHFFFAOYSA-N
Molecular Weight 418.566 g/mol
SMILES C(=O)(NCSC1=NC2=CC=CC=C2S1)NCSC=1SC2=CC=CC=C2N1