![2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole structure](/static/products/4015/401589-66-0.webp)
2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
TL;DR: 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 401589-66-0) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: 2-((3-Nitrobenzyl)thio)-1H-benzo[d]imidazole, 2-[(3-nitrobenzyl)thio]-1H-benzimidazole, BIM-0022369.P001, 2-[(3-nitrophenyl)methylthio]benzimidazole, 2-{[(3-NITROPHENYL)METHYL]SULFANYL}-1H-1,3-BENZODIAZOLE
| Molecular Formula | C14H11N3O2S |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0572 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 401589-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | YHIXOGCJHQORFX-UHFFFAOYSA-N |
Product Overview
2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole (CAS 401589-66-0), with molecular formula C14H11N3O2S and molecular weight 285.06 g/mol. IUPAC: 2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
Property Insights of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
The XLogP value of 3.7 indicates that 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole has 1 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 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The CAS number of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 401589-66-0.
What is the molecular formula of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular formula of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is C14H11N3O2S.
What is the molecular weight of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
The molecular weight of 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole is 285.06 g/mol.
Where can I buy 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
You can request a quote for 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-Nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.