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1,2-Ethanedisulfonic acid, compd. with 5-(2-chloroethyl)-4-methylthiazole (1:2)
SpectraBase Compound ID KbvLWiJ7HPb
InChI InChI=1S/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey WFVBVWRCFZCWJU-UHFFFAOYSA-N
Mol Weight 513.48 g/mol
Molecular Formula C14H22Cl2N2O6S4
Exact Mass 511.973777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hlNFBc3TQV
Name 1,2-Ethanedisulfonic acid, compd. with 5-(2-chloroethyl)-4-methylthiazole (1:2)
CAS Registry Number 1867-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22Cl2N2O6S4
InChI InChI=1S/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)
InChIKey WFVBVWRCFZCWJU-UHFFFAOYSA-N
Molecular Weight 513.484 g/mol
SMILES c1(ncsc1CCCl)C.OS(CCS(=O)(=O)O)(=O)=O.c1(ncsc1CCCl)C
SPLASH splash10-03di-9800000000-61cf267f418938bc8223
Source of Spectrum EP-7757-0-0
Synonyms 1,2-ethanedisulfonic acid compound with 5-(2-chloroethyl)-4-methyl-1,3-thiazole (1:2) 5-(2-Chloroethyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid 5-(2-Chloroethyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid 5-(2-Chloroethyl)-4-methylthiazole ethanedisulfonate (2:1) Chlormethiazole edisylate Chlormethiazole ethandisulfonate Chlormethiazole ethanedisulfonate Clomethiazole edisylate Clomethiazole ethane-1,2-disulfonate Clomethiazole ethanedisulfonate Ethane-1,2-disulphonic acid, compound with 5-(2-chloroethyl)-4-methylthiazole (1:2) Heminevrin Hemithiamine SCTZ Thiazole, 5-(2-chloroethyl)-4-methyl-, ethanedisulfonate (2:1) 5-(2-Chloroethyl)-4-methylthiazole;ethane-1,2-disulfonic acid 5-(2-Chloroethyl)-4-methyl-1,3-thiazole;ethane-1,2-disulfonic acid EINECS 217-483-0
Wiley ID 1400698