![1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole structure](/static/products/1877/187798-49-8.webp)
1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole
TL;DR: 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole (CAS 187798-49-8) is a chemical compound with molecular formula C14H12N6S and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzotriazol-1-ylmethylsulfanylmethyl)benzotriazole
Also Known As: starbld0021394, Bis(benzotriazole-1-yl-methyl)sulfide, 1-(benzotriazol-1-ylmethylsulfanylmethyl)benzotriazole, 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole, Bis((1H-benzo[d][1,2,3]triazol-1-yl)methyl)sulfane
| Molecular Formula | C14H12N6S |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 2.5244 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.0844 |
| Heavy Atoms | 21 |
| Complexity | 822.41113 |
Chemical Identifiers
| CAS Number | 187798-49-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CSCN3C4=CC=CC=C4N=N3 |
Product Overview
1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole (CAS 187798-49-8), with molecular formula C14H12N6S and molecular weight 296.08 g/mol. IUPAC: 1-(benzotriazol-1-ylmethylsulfanylmethyl)benzotriazole.
Chemical Property Profile of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole
Property Insights of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole
The XLogP value of 2.5244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole has 0 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 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole?
The CAS number of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole is 187798-49-8.
What is the molecular formula of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole?
The molecular formula of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole is C14H12N6S.
What is the molecular weight of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole?
The molecular weight of 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole is 296.08 g/mol.
Where can I buy 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole?
You can request a quote for 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{[(1H-1,2,3-benzotriazol-1-ylmethyl)sulfanyl]methyl}-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.