N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide
TL;DR: N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide (CAS 686301-56-4) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide
Also Known As: N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide, N-(tetrahydrofuran-2-ylmethyl)-1H-benzotriazole-1-carbothioamide, N-(tetrahydro-2-furanylmethyl)-1H-1,2,3-benzotriazole-1-carbothioamide, N-((tetrahydrofuran-2-yl)methyl)-1H-benzo[d][1,2,3]triazole-1-carbothioamide
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.3329 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 561.9577 |
Chemical Identifiers
| CAS Number | 686301-56-4 |
|---|---|
| SMILES | C1CC(OC1)CNC(=S)N2C3=CC=CC=C3N=N2 |
Product Overview
N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide (CAS 686301-56-4), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide.
Chemical Property Profile of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide
Property Insights of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide
The XLogP value of 1.3329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide. With a topological polar surface area (TPSA) of 51.97 Ų, N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide has 1 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 N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide?
The CAS number of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide is 686301-56-4.
What is the molecular formula of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide?
The molecular formula of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide is C12H14N4OS.
What is the molecular weight of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide?
The molecular weight of N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide is 262.09 g/mol.
Where can I buy N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide?
You can request a quote for N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(oxolan-2-ylmethyl)benzotriazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.