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

Modify Date: 2025-08-27 10:29:29

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].

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

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	Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial
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.

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
InChIKey	GFPSYJINFZDBPU-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2Cl)cc1

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

Thiourea, N-[(2-chlorophenyl)methyl]-N'-(4-nitrophenyl)-

MFCD04154139