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Substance Name: Thiazolium, 3-ethyl-4,5-dihydro-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-oxo-, 4-methylbenzenesulfonate (1:1)
RN: 63870-47-3
InChIKey: NVXIKCSOINRPAD-VILQZVERSA-N

Molecular Formula

  • C10-H15-N2-O-S3.C7-H7-O3-S

Molecular Weight

  • 447.643
 
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Names and Synonyms

Synonym

  • EINECS 264-535-3

Systematic Names

  • 3-Ethyl-4,5-dihydro-5-(3-methylthiazolidin-2-ylidene)-2-(methylthio)-4-oxothiazolium toluene-p-sulphonate
  • Thiazolium, 3-ethyl-4,5-dihydro-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-oxo-, 4-methylbenzenesulfonate (1:1)
  • Thiazolium, 3-ethyl-4,5-dihydro-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-oxo-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 63870-47-3

System Generated Number

  • 0063870473

Molecular Formulas

Molecular Formula

  • C10-H15-N2-O-S3.C7-H7-O3-S

Molecular Formula Fragments

  • C10-H15-N2-O-S3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C10H15N2OS3.C7H8O3S/c1-4-12-8(13)7(16-10(12)14-3)9-11(2)5-6-15-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/b9-7-;

InChIKey

NVXIKCSOINRPAD-VILQZVERSA-N

Smiles

S1C(\C([N+](=C1SC)CC)=O)=C1\SCCN1C.c1(ccc(cc1)C)S(=O)(=O)O