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N-Cyclopropyl-N'-phenylcarbamimidothioic acid

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

N-Cyclopropyl-N'-phenylcarbamimidothioic acid
SpectraBase Compound ID 4BVqvl1am5m
InChI InChI=1S/C10H12N2S/c13-10(12-9-6-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)
InChIKey HMRHSMXFUQAWTJ-UHFFFAOYSA-N
Mol Weight 192.28 g/mol
Molecular Formula C10H12N2S
Exact Mass 192.07212 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 11WBwY5HfZ2
Name N-Cyclopropyl-N'-phenylcarbamimidothioic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.072119568 u
Formula C10H12N2S
InChI InChI=1S/C10H12N2S/c13-10(12-9-6-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)
InChIKey HMRHSMXFUQAWTJ-UHFFFAOYSA-N
Molecular Weight 192.280 g/mol
SMILES C(=S)(NC1CC1)NC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863295