N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide (CAS 339104-57-3) is a chemical compound with molecular formula C14H10N4OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazole-1-carbothioyl)benzamide
Also Known As: Bionet2_000619, N-(benzotriazole-1-carbothioyl)benzamide, N-(1H-1,2,3-benzotriazole-1-carbothioyl)benzamide, N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide, 8M-901
| Molecular Formula | C14H10N4OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 1.9943 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05753 |
| Heavy Atoms | 20 |
| Complexity | 781.983 |
Chemical Identifiers
| CAS Number | 339104-57-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)N2C3=CC=CC=C3N=N2 |
Product Overview
N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide (CAS 339104-57-3), with molecular formula C14H10N4OS and molecular weight 282.06 g/mol. IUPAC: N-(benzotriazole-1-carbothioyl)benzamide.
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide
The XLogP value of 1.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide 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-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide is 339104-57-3.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide is C14H10N4OS.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide is 282.06 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylcarbothioyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.