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1-cyano-3-(hexahydro-1H-azepin-3-yl)-2-methyl-2-thiopseudourea

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

1-cyano-3-(hexahydro-1H-azepin-3-yl)-2-methyl-2-thiopseudourea
SpectraBase Compound ID HDeX5Fjpkyy
InChI InChI=1S/C9H14N4OS/c1-15-9(12-6-10)13-7-4-2-3-5-11-8(7)14/h7H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKey SMXCHBUUOKTCRN-UHFFFAOYSA-N
Mol Weight 226.3 g/mol
Molecular Formula C9H14N4OS
Exact Mass 226.088832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4fp4E3LHw0
Name 1-CYANO-3-(HEXAHYDRO-1H-AZEPIN-3-YL)-2-METHYL-2-THIOPSEUDOUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N4OS
InChI InChI=1S/C9H14N4OS/c1-15-9(12-6-10)13-7-4-2-3-5-11-8(7)14/h7H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKey SMXCHBUUOKTCRN-UHFFFAOYSA-N
Melting Point 209-211C
Molecular Weight 226.30
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PSEUDOUREA, 1-CYANO-3-/HEXAHYDRO- 1H-AZEPIN-3-YL/-2-METHYL-2-THIO-,