![4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide structure](/static/products/677/677754-87-9.png)
4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
TL;DR: 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide (CAS 677754-87-9) is a chemical compound with molecular formula C14H18N6OS and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Also Known As: 4-tert-butyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide, 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide, 4-(tert-butyl)-N-((2-methyl-2H-tetrazol-5-yl)carbamothioyl)benzamide, 4-tert-butyl-N-{[(2-methyl-2H-tetrazol-5-yl)amino]carbonothioyl}benzamide
| Molecular Formula | C14H18N6OS |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 1.6344 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.12628 |
| Heavy Atoms | 22 |
| Complexity | 686.10376 |
Chemical Identifiers
| CAS Number | 677754-87-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NN(N=N2)C |
Product Overview
4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide (CAS 677754-87-9), with molecular formula C14H18N6OS and molecular weight 318.13 g/mol. IUPAC: 4-tert-butyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
Property Insights of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
The XLogP value of 1.6344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide?
The CAS number of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide is 677754-87-9.
What is the molecular formula of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide is C14H18N6OS.
What is the molecular weight of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide is 318.13 g/mol.
Where can I buy 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.