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5-Bromo-1H-benzo[D]imidazole-2(3H)-thione
TL;DR: 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione (CAS 71216-20-1) is a chemical compound with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1,3-dihydrobenzimidazole-2-thione
Also Known As: 5-BROMO-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE, 5-BROMO-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-THIONE, 5-bromo-2-mercaptobenzimidazole, 5-Bromo-2-benzimidazolethiol, 5-bromo-1,3-dihydrobenzimidazole-2-thione
| Molecular Formula | C7H5BrN2S |
|---|---|
| Molecular Weight | 227.94 g/mol |
| LogP | 2.98799 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.93568 |
| Heavy Atoms | 11 |
| Complexity | 442.88245 |
Chemical Identifiers
| CAS Number | 71216-20-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)NC(=S)N2 |
Product Overview
5-Bromo-1H-benzo[D]imidazole-2(3H)-thione (CAS 71216-20-1), with molecular formula C7H5BrN2S and molecular weight 227.94 g/mol. IUPAC: 5-bromo-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione
Property Insights of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione
The XLogP value of 2.98799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione. With a topological polar surface area (TPSA) of 31.58 Ų, 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione has 2 hydrogen bond donor(s) and 1 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 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione?
The CAS number of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione is 71216-20-1.
What is the molecular formula of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione?
The molecular formula of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione is C7H5BrN2S.
What is the molecular weight of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione?
The molecular weight of 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione is 227.94 g/mol.
Where can I buy 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione?
You can request a quote for 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-1H-benzo[D]imidazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.