N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
TL;DR: N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide (CAS 865077-63-0) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-phenylbenzotriazole-1-carbothioamide
Also Known As: N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide, N-methyl-N-phenylbenzotriazole-1-carbothioamide, N-methyl-N-phenyl-benzotriazole-1-carbothioamide
| Molecular Formula | C14H12N4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.7007 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.07828 |
| Heavy Atoms | 19 |
| Complexity | 720.4039 |
Chemical Identifiers
| CAS Number | 865077-63-0 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)N2C3=CC=CC=C3N=N2 |
Product Overview
N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide (CAS 865077-63-0), with molecular formula C14H12N4S and molecular weight 268.08 g/mol. IUPAC: N-methyl-N-phenylbenzotriazole-1-carbothioamide.
Chemical Property Profile of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
Property Insights of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide
The XLogP value of 2.7007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide. With a topological polar surface area (TPSA) of 33.95 Ų, N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide 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 N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The CAS number of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is 865077-63-0.
What is the molecular formula of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The molecular formula of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is C14H12N4S.
What is the molecular weight of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
The molecular weight of N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide is 268.08 g/mol.
Where can I buy N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
You can request a quote for N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-phenyl-1H-1,2,3-benzotriazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.