4-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzoic acid

CAS

6322-60-7

Catalog Number

ACM6322607

Category

Other Products

Molecular Weight

253.296

Molecular Formula

C₁₀H₇NO₃S₂

MSDS COA Spec Sheet

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Specification

IUPAC Name

4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic acid

Canonical SMILES

C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C(=O)O

InChI Key

GYORTKHHBDTZHY-UHFFFAOYSA-N

Boiling Point

459ºC at 760 mmHg

Flash Point

231.4ºC

Density

1.64 g/cm³

Exact Mass

252.98700

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

6326-83-6
150-13-0

6322-60-7

Reference: [1]Geronikaki, Athina; Horishny, Volodymyr; Ivanov, Marija; Kartsev, Victor; Kostic, Marina; Matiychuk, Vasyl; Papadopoulou, Theodora A.; Petrou, Anthi; Pogodin, Pavel; Poroikov, Vladimir; Sokovic, Marina; Vizirianakis, Ioannis S.
[Molecules, 2022, vol. 27, # 3]
[2]Shaikh, Mahamadhanif S.; Kanhed, Ashish M.; Chandrasekaran, Balakumar; Palkar, Mahesh B.; Agrawal, Nikhil; Lherbet, Christian; Hampannavar, Girish A.; Karpoormath, Rajshekhar
[Bioorganic and Medicinal Chemistry Letters, 2019, vol. 29, # 16, p. 2338 - 2344]
[3]Location in patent: experimental part
Liu, Kun; Lu, Hong; Hou, Ling; Qi, Zhi; Teixeira, Cátia; Barbault, Florent; Fan, Bo-Tao; Liu, Shuwen; Jiang, Shibo; Xie, Lan
[Journal of Medicinal Chemistry, 2008, vol. 51, # 24, p. 7843 - 7854]
[4]Brooker et al.
[Journal of the American Chemical Society, 1951, vol. 73, p. 5326,5330]
[5]Shaikh, Mahamadhanif S.; Chandrasekaran, Balakumar; Palkar, Mahesh B.; Kanhed, Ashish M.; Kajee, Afsana; Mlisana, Koleka P.; Singh, Parvesh; Ghai, Meenu; Cleopus Mahlalela, Mavela; Karpoormath, Rajshekhar
[Chemistry and biodiversity, 2020, vol. 17, # 5]