Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate
TL;DR: Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate (CAS 202286-41-7) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(benzotriazol-1-ylmethyl)benzenecarboximidothioate
Also Known As: methyl N-(benzotriazol-1-ylmethyl)benzenecarboximidothioate, n-benzotriazol-1-ylmethyl-thiobenzimidic acid methyl ester, Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate, Methyl N-[(1H-benzotriazol-1-yl)methyl]benzenecarboximidothioate, N-(benzotriazol-1-ylmethyl)-1-methylsulfanyl-1-phenyl-methanimine
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.1986 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 733.728 |
Chemical Identifiers
| CAS Number | 202286-41-7 |
|---|---|
| SMILES | CSC(=NCN1C2=CC=CC=C2N=N1)C3=CC=CC=C3 |
Product Overview
Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate (CAS 202286-41-7), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: methyl N-(benzotriazol-1-ylmethyl)benzenecarboximidothioate.
Chemical Property Profile of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate
Property Insights of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate
The XLogP value of 3.1986 indicates that Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate has 0 hydrogen bond donor(s) and 4 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 Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate?
The CAS number of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate is 202286-41-7.
What is the molecular formula of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate?
The molecular formula of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate is C15H14N4S.
What is the molecular weight of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate?
The molecular weight of Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate is 282.09 g/mol.
Where can I buy Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate?
You can request a quote for Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(1H-benzotriazol-1-ylmethyl)benzenecarboximidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.