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S-(tert-Butylthio)-L-cysteine hydrate

View entire compound with spectra: 2 FTIR, and 1 Raman

S-(tert-Butylthio)-L-cysteine hydrate
SpectraBase Compound ID BM5YpJ6RFnM
InChI InChI=1S/C7H15NO2S2.H2O/c1-7(2,3)12-11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H2/t5-;/m0./s1
InChIKey QXDVUJRRINMQAM-JEDNCBNOSA-N
Mol Weight 227.34 g/mol
Molecular Formula C7H17NO3S2
Exact Mass 227.064986 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7aPWwCOz9iT
Name S-(tert-Butylthio)-L-cysteine hydrate
Source of Sample Aldrich
Catalog Number 232351
CAS Registry Number 313223-16-4
Classification Non-aromatic amino acids
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H17NO3S2
InChI InChI=1S/C7H15NO2S2.H2O/c1-7(2,3)12-11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H2/t5-;/m0./s1
InChIKey QXDVUJRRINMQAM-JEDNCBNOSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(tert-Butyldithio)-L-alanine
Technique Mull
Wiley ID SIAL_FTIR_1_3967