![2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole structure](/static/products/5870/587004-33-9.webp)
2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
TL;DR: 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole (CAS 587004-33-9) is a chemical compound with molecular formula C15H13N5S2 and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 3-(benzimidazol-2-ylmethylthio)-4-methyl-5-(2-thienyl)-1,2,4-triazole, 1H-benzimidazol-2-ylmethyl 4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide, 2-(((4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C15H13N5S2 |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06125 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 587004-33-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=CS4 |
| InChIKey | NDBKTUCETVBCBZ-UHFFFAOYSA-N |
Product Overview
2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole (CAS 587004-33-9), with molecular formula C15H13N5S2 and molecular weight 327.06 g/mol. IUPAC: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Property Insights of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 5 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-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole?
The CAS number of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole is 587004-33-9.
What is the molecular formula of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole?
The molecular formula of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole is C15H13N5S2.
What is the molecular weight of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole?
The molecular weight of 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole is 327.06 g/mol.
Where can I buy 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole?
You can request a quote for 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.