2-Acetylbenzimidazolethiosemicarbazone
TL;DR: 2-Acetylbenzimidazolethiosemicarbazone (CAS 15449-86-2) is a chemical compound with molecular formula C10H11N5S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1H-benzimidazol-2-yl)ethylideneamino]thiourea
Also Known As: 2-acetylbenzimidazolethiosemicarbazone, [1-(benzimidazol-2-ylidene)ethylamino]thiourea, Hydrazinecarbothioamide, 2-[1-(1H-benzimidazol-2-yl)ethylidene]-
| Molecular Formula | C10H11N5S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.07352 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 15449-86-2 |
|---|---|
| SMILES | CC(=NNC(=S)N)C1=NC2=CC=CC=C2N1 |
| InChIKey | NGYZMZZVPBPQMC-UHFFFAOYSA-N |
Product Overview
2-Acetylbenzimidazolethiosemicarbazone (CAS 15449-86-2), with molecular formula C10H11N5S and molecular weight 233.07 g/mol. IUPAC: [1-(1H-benzimidazol-2-yl)ethylideneamino]thiourea.
Chemical Property Profile of 2-Acetylbenzimidazolethiosemicarbazone
Property Insights of 2-Acetylbenzimidazolethiosemicarbazone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylbenzimidazolethiosemicarbazone. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetylbenzimidazolethiosemicarbazone. Following Lipinski's Rule of Five, 2-Acetylbenzimidazolethiosemicarbazone has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetylbenzimidazolethiosemicarbazone?
The CAS number of 2-Acetylbenzimidazolethiosemicarbazone is 15449-86-2.
What is the molecular formula of 2-Acetylbenzimidazolethiosemicarbazone?
The molecular formula of 2-Acetylbenzimidazolethiosemicarbazone is C10H11N5S.
What is the molecular weight of 2-Acetylbenzimidazolethiosemicarbazone?
The molecular weight of 2-Acetylbenzimidazolethiosemicarbazone is 233.07 g/mol.
Where can I buy 2-Acetylbenzimidazolethiosemicarbazone?
You can request a quote for 2-Acetylbenzimidazolethiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylbenzimidazolethiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylbenzimidazolethiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.