1,3-Bis(4-trifluoromethylphenyl)thiourea

CAS

1744-07-6

Catalog Number

ACM1744076

Category

Other Products

Molecular Weight

364.308719 [g/mol]

Molecular Formula

C15H10F6N2S

MSDS COA Spec Sheet

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Specification

Synonyms

CTK0E4112, STL031932, ZINC57429439, AKOS005689065, 1,3-bis[4-(trifluoromethyl)phenyl]thiourea, Thiourea, N,N-bis[4-(trifluoromethyl)phenyl]-, 1744-07-6

IUPAC Name

1,3-bis[4-(trifluoromethyl)phenyl]thiourea

Canonical SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=S)NC2=CC=C(C=C2)C(F)(F)F

InChI Key

ABYZUZQRUYXHCW-UHFFFAOYSA-N

Exact Mass

364.04700

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

1736-72-7

1744-07-6

Reference: [1]Kurzer,F.; Canelle,J.
[Tetrahedron, 1963, vol. 19, p. 1603 - 1610]

Upstream Synthesis Route 2

455-14-1

1744-07-6

Reference: [1]Kurzer,F.; Canelle,J.
[Tetrahedron, 1963, vol. 19, p. 1603 - 1610]
[2]Current Patent Assignee: CHINESE ACADEMY OF MEDICAL SCIENCES - CN110054577, 2019, A
[3]Cheng, Minghui; Meng, Xin; Tang, Haikang; Xu, Wenqing; Yang, Fujun; Zhang, Yuan
[Journal of Enzyme Inhibition and Medicinal Chemistry, 2020, vol. 35, # 1, p. 344 - 353]

Upstream Synthesis Route 3

455-14-1
1645-65-4

1744-07-6

Reference: [1]Busschaert, Nathalie; Kirby, Isabelle L.; Young, Sarah; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Gale, Philip A.
[Angewandte Chemie - International Edition, 2012, vol. 51, # 18, p. 4426 - 4430]
[2]Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.
[Organic and Biomolecular Chemistry, 2021, vol. 19, # 9, p. 2008 - 2014]
[3]Cheng, Minghui; Meng, Xin; Tang, Haikang; Xu, Wenqing; Yang, Fujun; Zhang, Yuan
[Journal of Enzyme Inhibition and Medicinal Chemistry, 2020, vol. 35, # 1, p. 344 - 353]
[4]Guin, Srimanta; Rout, Saroj Kumar; Gogoi, Anupal; Nandi, Shyamapada; Ghara, Krishna Kanta; Patel, Bhisma K.
[Advanced Synthesis and Catalysis, 2012, vol. 354, # 14-15, p. 2757 - 2770]
[5]Yuan, Wen-Kui; Liu, Yan Fang; Lan, Zhenggang; Wen, Li-Rong; Li, Ming
[Organic Letters, 2018, vol. 20, # 22, p. 7158 - 7162]