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Structure

3-Thiazolidinepropanoicacid,4-oxo-2-thioxo-

CAS
7025-19-6
Catalog Number
ACM7025196
Category
Other Products
Molecular Weight
205.25
Molecular Formula
C6H7NO3S2

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Specification

Synonyms
N-Carboxyethylrhodanine, Rodanin-3-propionic acid, Rhodanine-3-propionic acid, Oprea1_561305, Oprea1_635953, EINECS 230-307-7, ALBB-005191, NSC97091, BRN 1075880, SBB009645, 4-Oxo-2-thioxo-3-thiazolidinepropionic acid, 4-Oxo-2-thioxothiazolidine-3-propionic acid, BAS 00567410, 3-Thiazolidinepropanoic acid, 4-oxo-2-thioxo-, 3-Thiazolidinepropionic acid, 4-oxo-2-thioxo-, LS-151534, 3-(4-Oxo-2-thioxo-thiazolidin-3-yl)-propionic acid, 3-(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid, 7025-19-6
IUPAC Name
3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Canonical SMILES
C1C(=O)N(C(=S)S1)CCC(=O)O
InChI Key
SWAHCTPCIUXXTQ-UHFFFAOYSA-N
Melting Point
158-160°C
EC Number
230-307-7
Exact Mass
204.98700
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .

Upstream Synthesis Route 1

  • 75-15-0
  • 79-08-3
  • 107-95-9
  • 7025-19-6

Reference: [1] ChemMedChem, 2014, vol. 9, # 11, p. 2538 - 2547
[2] Patent: WO2011/39735, 2011, A2, . Location in patent: Page/Page column 149-150
[3] ChemMedChem, 2014, vol. 9, # 11, p. 2538 - 2547

Upstream Synthesis Route 2

  • 79-08-3
  • 7025-19-6

Reference: [1] ChemMedChem, 2011, vol. 6, # 8, p. 1371 - 1389

Upstream Synthesis Route 3

  • 3926-62-3
  • 7025-19-6

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 9, p. 2278 - 2283

Downstream Synthesis Route 1

  • 7025-19-6
  • 91-56-5
  • 14016-71-8

Reference: [1]Chemistry of Heterocyclic Compounds,1966,vol. 2,p. 535 - 537
Khimiya Geterotsiklicheskikh Soedinenii,1966,vol. 2,p. 698 - 701

Downstream Synthesis Route 2

  • 7025-19-6
  • 87-48-9
  • 14016-72-9

Reference: [1]Chemistry of Heterocyclic Compounds,1966,vol. 2,p. 535 - 537
Khimiya Geterotsiklicheskikh Soedinenii,1966,vol. 2,p. 698 - 701

Downstream Synthesis Route 3

  • 7025-19-6
  • 108-94-1
  • 14016-69-4

Reference: [1]Chemistry of Heterocyclic Compounds,1966,vol. 2,p. 535 - 537
Khimiya Geterotsiklicheskikh Soedinenii,1966,vol. 2,p. 698 - 701

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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