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Substance Name: 3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)
RN: 116912-49-3
InChIKey: QBVDHWCWNMADBL-VHPXAQPISA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C13-H10-N2-O3-S3.C6-H15-N

Molecular Weight

  • 439.6225
 
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Names and Synonyms

  • 3-Thiazolidineacetic acid, 5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 116912-49-3

System Generated Number

  • 0116912493

Molecular Formulas

Molecular Formula

  • C13-H10-N2-O3-S3.C6-H15-N

Molecular Formula Fragments

  • C13-H10-N2-O3-S3
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C13H10N2O3S3.C6H15N/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10;1-4-7(5-2)6-3/h2-5H,6H2,1H3,(H,16,17);4-6H2,1-3H3/b12-10+;

InChIKey

QBVDHWCWNMADBL-VHPXAQPISA-N

Smiles

C1(=c2\n(c3c(s2)cccc3)C)/C(=O)N(C(=S)S1)CC(=O)O.N(CC)(CC)CC