1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione
TL;DR: 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione (CAS 565193-51-3) is a chemical compound with molecular formula C9H8F2N4S and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(difluoromethyl)-4-(4-methylphenyl)tetrazole-5-thione
Also Known As: 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione, 1-(difluoromethyl)-4-(4-methylphenyl)tetrazole-5-thione, 1-(difluoromethyl)-4-(p-tolyl)-1H-tetrazole-5(4H)-thione
| Molecular Formula | C9H8F2N4S |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.50181 |
| Topological Polar Surface Area | 35.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.04378 |
| Heavy Atoms | 16 |
| Complexity | 543.3818 |
Chemical Identifiers
| CAS Number | 565193-51-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=S)N(N=N2)C(F)F |
Product Overview
1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione (CAS 565193-51-3), with molecular formula C9H8F2N4S and molecular weight 242.04 g/mol. IUPAC: 1-(difluoromethyl)-4-(4-methylphenyl)tetrazole-5-thione.
Chemical Property Profile of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione
Property Insights of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione
The XLogP value of 2.50181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione. With a topological polar surface area (TPSA) of 35.64 Ų, 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione 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 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione?
The CAS number of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione is 565193-51-3.
What is the molecular formula of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione?
The molecular formula of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione is C9H8F2N4S.
What is the molecular weight of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione?
The molecular weight of 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione is 242.04 g/mol.
Where can I buy 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione?
You can request a quote for 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(difluoromethyl)-4-(4-methylphenyl)-1,4-dihydro-5H-tetrazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.