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2-Amino-5-ethyl-1,3,4-thiadiazole
SpectraBase Compound ID 4Jbn4fLCovQ
InChI InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey QXTRPGAMVIONMK-UHFFFAOYSA-N
Mol Weight 129.18 g/mol
Molecular Formula C4H7N3S
Exact Mass 129.036068 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJf7Rguyp7B
Name 2-Amino-5-ethyl-1,3,4-thiadiazole
Acquisition Mode SIMULTANEOUS
CAS Registry Number 14068-53-2
Comments saturated N/A 2-Amino-5-ethyl-1,3,4-thiadiazole - vendor: Acros 188480050; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C4H7N3S
IUPAC Name 5-ethyl-1,3,4-thiadiazol-2-amine
InChI InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey QXTRPGAMVIONMK-UHFFFAOYSA-N
PubChem Compound ID 26444
SMILES CCC1=NN=C(S1)N
Source File Reference bmse000176