1-(Methylsulfanylmethyl)benzotriazole
TL;DR: 1-(Methylsulfanylmethyl)benzotriazole (CAS 183164-38-7) is a chemical compound with molecular formula C8H9N3S and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methylsulfanylmethyl)benzotriazole
Also Known As: 1-(methylsulfanylmethyl)benzotriazole, 1H-Benzotriazole, 1-[(methylthio)methyl]-, 1-[(Methylsulfanyl)methyl]-1H-1,2,3-benzotriazole, 1-(Methylthiomethyl)-1H-benzotriazole, 1-(METHYLTHIOMETHYL)BENZOTRIAZOLE
| Molecular Formula | C8H9N3S |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 1.7518 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05171 |
| Heavy Atoms | 12 |
| Complexity | 382.43835 |
Chemical Identifiers
| CAS Number | 183164-38-7 |
|---|---|
| SMILES | CSCN1C2=CC=CC=C2N=N1 |
Product Overview
1-(Methylsulfanylmethyl)benzotriazole (CAS 183164-38-7), with molecular formula C8H9N3S and molecular weight 179.05 g/mol. IUPAC: 1-(methylsulfanylmethyl)benzotriazole.
Chemical Property Profile of 1-(Methylsulfanylmethyl)benzotriazole
Property Insights of 1-(Methylsulfanylmethyl)benzotriazole
The XLogP value of 1.7518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfanylmethyl)benzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(Methylsulfanylmethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylsulfanylmethyl)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
Frequently Asked Questions
What is the CAS number of 1-(Methylsulfanylmethyl)benzotriazole?
The CAS number of 1-(Methylsulfanylmethyl)benzotriazole is 183164-38-7.
What is the molecular formula of 1-(Methylsulfanylmethyl)benzotriazole?
The molecular formula of 1-(Methylsulfanylmethyl)benzotriazole is C8H9N3S.
What is the molecular weight of 1-(Methylsulfanylmethyl)benzotriazole?
The molecular weight of 1-(Methylsulfanylmethyl)benzotriazole is 179.05 g/mol.
Where can I buy 1-(Methylsulfanylmethyl)benzotriazole?
You can request a quote for 1-(Methylsulfanylmethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylsulfanylmethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfanylmethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.