![6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol structure](/static/products/1166/116643-17-5.webp)
6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol
TL;DR: 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol (CAS 116643-17-5) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1,3-dihydrobenzimidazole-2-thione
Also Known As: 6,7-DIMETHYL-1H-BENZO[D]IMIDAZOLE-2-THIOL, 4,5-dimethyl-1,3-dihydrobenzimidazole-2-thione, 4,5-dimethylbenzimidazole-2-thiol, 4,5-dimethyl-1H-benzimidazole-2-thiol, 6,7-Dimethyl-1H-BenzoDImidazole-2-Thiol
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 116643-17-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)NC(=S)N2)C |
| InChIKey | PZCZKNDMOKQRTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol (CAS 116643-17-5), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 4,5-dimethyl-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol
Property Insights of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol. With a topological polar surface area (TPSA) of 56.2 Ų, 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol 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 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol?
The CAS number of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol is 116643-17-5.
What is the molecular formula of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol?
The molecular formula of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol is C9H10N2S.
What is the molecular weight of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol?
The molecular weight of 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol is 178.06 g/mol.
Where can I buy 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol?
You can request a quote for 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethyl-1H-benzo[D]imidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.