![7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol structure](/static/products/818/81864-58-6.png)
7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol
TL;DR: 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol (CAS 81864-58-6) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,7,8-tetrahydro-1H-[1,4]dioxepino[2,3-f]benzimidazole-2-thione
Also Known As: 1,6,7,8-tetrahydro-[1,4]dioxepino[2',3':4,5]benzo[1,2-d]imidazole-2-thiol, AB01319585-02, 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol, 3,6,7,8-tetrahydro-1H-[1,4]dioxepino[2,3-f]benzimidazole-2-thione, 6H,7H,8H-1,4-dioxepano[2,3-f]benzimidazole-2-thiol
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.38679 |
| Topological Polar Surface Area | 50.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 512.038 |
Chemical Identifiers
| CAS Number | 81864-58-6 |
|---|---|
| SMILES | C1COC2=C(C=C3C(=C2)NC(=S)N3)OC1 |
Product Overview
7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol (CAS 81864-58-6), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 3,6,7,8-tetrahydro-1H-[1,4]dioxepino[2,3-f]benzimidazole-2-thione.
Chemical Property Profile of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol
Property Insights of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol
The XLogP value of 2.38679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol. With a topological polar surface area (TPSA) of 50.04 Ų, 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol has 2 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 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol?
The CAS number of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol is 81864-58-6.
What is the molecular formula of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol?
The molecular formula of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol is C10H10N2O2S.
What is the molecular weight of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol?
The molecular weight of 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol is 222.05 g/mol.
Where can I buy 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol?
You can request a quote for 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]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 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.