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(2-Mercapto-benzothiazol-5-yl)-pyrrolidin-1-yl-methanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2-Mercapto-benzothiazol-5-yl)-pyrrolidin-1-yl-methanone
SpectraBase Compound ID 4HLRckZMBT
InChI InChI=1S/C12H12N2OS2/c15-11(14-5-1-2-6-14)8-3-4-10-9(7-8)13-12(16)17-10/h3-4,7H,1-2,5-6H2,(H,13,16)
InChIKey IVYSYWZDWKLKOO-UHFFFAOYSA-N
Mol Weight 264.36 g/mol
Molecular Formula C12H12N2OS2
Exact Mass 264.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48cbJor8lc
Name (2-Mercapto-benzothiazol-5-yl)-pyrrolidin-1-yl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2OS2
InChI InChI=1S/C12H12N2OS2/c15-11(14-5-1-2-6-14)8-3-4-10-9(7-8)13-12(16)17-10/h3-4,7H,1-2,5-6H2,(H,13,16)
InChIKey IVYSYWZDWKLKOO-UHFFFAOYSA-N
Molecular Weight 264.361 g/mol
SMILES Sc1nc2c(ccc(C(N3CCCC3)=O)c2)s1
SPLASH splash10-01ox-3930000000-fdde0698fced507ba011
Synonyms 1-Pyrrolidinyl-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)methanone 5-(1-Pyrrolidinylcarbonyl)-1,3-benzothiazole-2-thiol Pyrrolidin-1-yl-(2-sulfanylidene-3H-1,3-benzothiazol-5-yl)methanone Pyrrolidin-1-yl-(2-thioxo-3H-1,3-benzothiazol-5-yl)methanone Pyrrolidino-(2-thioxo-3H-1,3-benzothiazol-5-yl)methanone
Wiley ID 1462024