![1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione structure](/static/products/850/850187-08-5.png)
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione
TL;DR: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione (CAS 850187-08-5) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione
Also Known As: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione, (E)-1-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-3-methyl-1H-benzo[d]imidazole-2(3H)-thione, 1-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.32019 |
| Topological Polar Surface Area | 40.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 955.6696 |
Chemical Identifiers
| CAS Number | 850187-08-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N(C1=S)/N=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione (CAS 850187-08-5), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione.
Chemical Property Profile of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione
Property Insights of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione
The XLogP value of 3.32019 indicates that 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.68 Ų, 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione has 0 hydrogen bond donor(s) and 4 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 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione?
The CAS number of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione is 850187-08-5.
What is the molecular formula of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione?
The molecular formula of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione is C16H13N3O2S.
What is the molecular weight of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione?
The molecular weight of 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione is 311.07 g/mol.
Where can I buy 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione?
You can request a quote for 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-methylbenzimidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.