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2-amino-5-(heptylthio)-1,3,4-thiadiazole

View entire compound with spectra: 2 NMR, 1 FTIR, 2 UV-Vis, and 1 MS (GC)

2-amino-5-(heptylthio)-1,3,4-thiadiazole
SpectraBase Compound ID IytweyiSjEt
InChI InChI=1S/C9H17N3S2/c1-2-3-4-5-6-7-13-9-12-11-8(10)14-9/h2-7H2,1H3,(H2,10,11)
InChIKey VXNPKYLZLLWUDZ-UHFFFAOYSA-N
Mol Weight 231.38 g/mol
Molecular Formula C9H17N3S2
Exact Mass 231.08639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7W3r83YCM65
Name 1,3,4-Thiadiazole, 2-amino-5-(heptylthio)-
CAS Registry Number 33313-10-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17N3S2
InChI InChI=1S/C9H17N3S2/c1-2-3-4-5-6-7-13-9-12-11-8(10)14-9/h2-7H2,1H3,(H2,10,11)
InChIKey VXNPKYLZLLWUDZ-UHFFFAOYSA-N
Molecular Weight 231.376 g/mol
SMILES Nc1nnc(s1)SCCCCCCC
SPLASH splash10-0006-9200000000-7e2c638481dd014f3251
Source of Spectrum O-5-322-10
Synonyms 5-(Heptylsulfanyl)-1,3,4-thiadiazol-2-amine 5-(heptylthio)-1,3,4-thiadiazol-2-amine [5-(heptylthio)-1,3,4-thiadiazol-2-yl]amine
Wiley ID 1232512