5,6-dimethyl-1H-benzimidazole-2-thiol
TL;DR: 5,6-dimethyl-1H-benzimidazole-2-thiol (CAS 3287-79-4) 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.
5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione
Also Known As: 5,6-dimethyl-1H-benzimidazole-2-thiol, 5,6-dimethyl-1H-benzo[d]imidazole-2(3H)-thione, NCIOpen2_001298, 5,6-dimethyl-2-mercaptobenzimidazole, 5,6-dimethylbenzimidazole-2-thiol
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.84233 |
| Topological Polar Surface Area | 31.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 436.72446 |
Chemical Identifiers
| CAS Number | 3287-79-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)NC(=S)N2 |
Product Overview
5,6-dimethyl-1H-benzimidazole-2-thiol (CAS 3287-79-4), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 5,6-dimethyl-1H-benzimidazole-2-thiol
Property Insights of 5,6-dimethyl-1H-benzimidazole-2-thiol
The XLogP value of 2.84233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethyl-1H-benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 31.58 Ų, 5,6-dimethyl-1H-benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-dimethyl-1H-benzimidazole-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 5,6-dimethyl-1H-benzimidazole-2-thiol?
The CAS number of 5,6-dimethyl-1H-benzimidazole-2-thiol is 3287-79-4.
What is the molecular formula of 5,6-dimethyl-1H-benzimidazole-2-thiol?
The molecular formula of 5,6-dimethyl-1H-benzimidazole-2-thiol is C9H10N2S.
What is the molecular weight of 5,6-dimethyl-1H-benzimidazole-2-thiol?
The molecular weight of 5,6-dimethyl-1H-benzimidazole-2-thiol is 178.06 g/mol.
Where can I buy 5,6-dimethyl-1H-benzimidazole-2-thiol?
You can request a quote for 5,6-dimethyl-1H-benzimidazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-1H-benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-1H-benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.