![1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole structure](/static/products/1111/111198-04-0.webp)
1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole
TL;DR: 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole (CAS 111198-04-0) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzylsulfanylmethyl)benzotriazole
Also Known As: starbld0043427, 1-(benzylsulfanylmethyl)benzotriazole, 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole, 1-benzylsulfanylmethyl-1h-benzotriazole, 1-((Benzylthio)methyl)-1H-benzo[d][1,2,3]triazole
Technical Specifications
| Molecular Formula | C14H13N3S |
| Molecular Weight | 255.08302 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.08302 Da |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
| SMILES | C1=CC=C(C=C1)CSCN2C3=CC=CC=C3N=N2 |
| InChIKey | RNPKIHCTTQTTCT-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole
Property Insights of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole
The XLogP value of 3.5 indicates that 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.0 Ų, 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole?
The CAS number of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole is 111198-04-0.
What is the molecular formula of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole?
The molecular formula of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole is C14H13N3S.
What is the molecular weight of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole?
The molecular weight of 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole is 255.08302 g/mol.
Where can I buy 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole?
You can request a quote for 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(Benzylsulfanyl)methyl]-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.