![3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole structure](/static/products/6758/675841-99-3.webp)
3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
TL;DR: 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 675841-99-3) is a chemical compound with molecular formula C16H10N6O2S2 and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Also Known As: 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole, 3-[[(6-Nitro-1H-benzimidazol-2-yl)methyl]thio]-1,2,4-triazolo[3,4-b]benzothiazole, 3-(((6-Nitro-1H-benzimidazol-2-yl)methyl)thio)-1,2,4-triazolo(3,4-b)benzothiazole, (5-NITRO-1H-1,3-BENZIMIDAZOL-2-YL)METHYL [1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOL-3-YL SULFIDE, 1-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
| Molecular Formula | C16H10N6O2S2 |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 4.0208 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.03067 |
| Heavy Atoms | 26 |
| Complexity | 1288.1208 |
Chemical Identifiers
| CAS Number | 675841-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3SCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-])S2 |
Product Overview
3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole (CAS 675841-99-3), with molecular formula C16H10N6O2S2 and molecular weight 382.03 g/mol. IUPAC: 1-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole.
Chemical Property Profile of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Property Insights of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
The XLogP value of 4.0208 indicates that 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole. Following Lipinski's Rule of Five, 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole has 1 hydrogen bond donor(s) and 7 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 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The CAS number of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 675841-99-3.
What is the molecular formula of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular formula of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole is C16H10N6O2S2.
What is the molecular weight of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
The molecular weight of 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole is 382.03 g/mol.
Where can I buy 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
You can request a quote for 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(6-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.