1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea

Modify Date: 2024-01-10 09:03:42

1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea Structure
1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea structure
Common Name 1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea
CAS Number 900701-83-9 Molecular Weight 321.782
Density 1.4±0.1 g/cm3 Boiling Point 478.3±55.0 °C at 760 mmHg
Molecular Formula C14H12ClN3O2S Melting Point N/A
MSDS N/A Flash Point 243.1±31.5 °C

 Use of 1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea


InhA-IN-3 (Compound TU12) is a Mycobacterium tuberculosis InhA (an enoyl ACP-reductase) inhibitor with an IC50 of 17.7 μM[1].

 Names

Name 1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea
Synonym More Synonyms

  Biological Activity

Description InhA-IN-3 (Compound TU12) is a Mycobacterium tuberculosis InhA (an enoyl ACP-reductase) inhibitor with an IC50 of 17.7 μM[1].
Related Catalog
Target

IC50: 17.7 μM (InhA)[1]

In Vitro InhA-IN-3 (Compound TU12) shows antitubercular activity with a MIC of 0.78±0.59 µg/mL against Mycobacterium tuberculosis[1].
References

[1]. Doğan ŞD, et al. Design and synthesis of thiourea-based derivatives as Mycobacterium tuberculosis growth and enoyl acyl carrier protein reductase (InhA) inhibitors. Eur J Med Chem. 2020 Aug 1;199:112402.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 478.3±55.0 °C at 760 mmHg
Molecular Formula C14H12ClN3O2S
Molecular Weight 321.782
Flash Point 243.1±31.5 °C
Exact Mass 321.033875
LogP 3.72
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.709

 Synonyms

1-(2-Chlorobenzyl)-3-(4-nitrophenyl)thiourea
Thiourea, N-[(2-chlorophenyl)methyl]-N'-(4-nitrophenyl)-
MFCD04154139