N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea
TL;DR: N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea (CAS 861208-79-9) is a chemical compound with molecular formula C15H12N4OS and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3H-benzimidazol-5-ylcarbamothioyl)benzamide
Also Known As: N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea, 1-benzoyl-3-(1H-1,3-benzodiazol-5-yl)thiourea, N-(3H-benzimidazol-5-ylcarbamothioyl)benzamide, 1-benzoyl-3-(1H-1,3-benzodiazol-6-yl)thiourea, N-[(1H-Benzimidazol-6-yl)carbamothioyl]benzamide
| Molecular Formula | C15H12N4OS |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.6897 |
| Topological Polar Surface Area | 69.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07318 |
| Heavy Atoms | 21 |
| Complexity | 797.5535 |
Chemical Identifiers
| CAS Number | 861208-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=CN3 |
Product Overview
N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea (CAS 861208-79-9), with molecular formula C15H12N4OS and molecular weight 296.07 g/mol. IUPAC: N-(3H-benzimidazol-5-ylcarbamothioyl)benzamide.
Chemical Property Profile of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea
Property Insights of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea
The XLogP value of 2.6897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea. The TPSA of 69.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea. Following Lipinski's Rule of Five, N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea 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 N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea?
The CAS number of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea is 861208-79-9.
What is the molecular formula of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea?
The molecular formula of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea is C15H12N4OS.
What is the molecular weight of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea?
The molecular weight of N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea is 296.07 g/mol.
Where can I buy N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea?
You can request a quote for N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,3-benzimidazol-5-yl)-N'-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.