2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
TL;DR: 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- (CAS 61617-00-3) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-dihydrobenzimidazole-2-thione
Also Known As: 2-Mercapto-5-methylbenzimidazole, 5-Methyl-1H-benzimidazole-2-thiol, 5-Methyl-2-benzimidazolethiol, 5-Methyl-1H-benzo[d]imidazole-2(3H)-thione, 5-Methyl-2-mercaptobenzimidazole
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 61617-00-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=S)N2 |
| InChIKey | CWIYBOJLSWJGKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- (CAS 61617-00-3), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 5-methyl-1,3-dihydrobenzimidazole-2-thione.
Chemical Property Profile of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
Property Insights of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-. With a topological polar surface area (TPSA) of 56.2 Ų, 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- 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 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-?
The CAS number of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- is 61617-00-3.
What is the molecular formula of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-?
The molecular formula of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- is C8H8N2S.
What is the molecular weight of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-?
The molecular weight of 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- is 164.04 g/mol.
Where can I buy 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-?
You can request a quote for 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.