(1e)-1-[amino-[(6-nitro-1h-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea (CHEM296947)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 18:00:26 UTC | ||||||||
| Update Date | 2026-08-28 18:00:26 UTC | ||||||||
| Accession Number | CHEM296947 | ||||||||
| Identification | |||||||||
| Common Name | (1e)-1-[amino-[(6-nitro-1h-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea | ||||||||
| Class | Small Molecule | ||||||||
| Description | (1e)-1-[amino-[(6-nitro-1h-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C16H15N7O2S and an average molecular weight of 369.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H15N7O2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 369.101 g/mol | ||||||||
| CAS Registry Number | 113367-99-0 | ||||||||
| IUPAC Name | (1e)-1-[amino-[(6-nitro-1h-benzimidazol-2-yl)amino]methylidene]-3-(2-methylphenyl)thiourea | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=CC=C1NC(=S)N=C(N)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] | ||||||||
| InChI Identifier | InChI=1S/C16H15N7O2S/c1-9-4-2-3-5-11(9)20-16(26)22-14(17)21-15-18-12-7-6-10(23(24)25)8-13(12)19-15/h2-8H,1H3,(H5,17,18,19,20,21,22,26) | ||||||||
| InChI Key | HZIITBGDGGEYBZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
