1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol (CAS 135965-05-8) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dimethylphenyl)-2H-tetrazole-5-thione
Also Known As: 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol, 1-(3,4-dimethylphenyl)-2H-tetrazole-5-thione, 1-(3,4-Dimethyl-phenyl)-1H-tetrazole-5-thiol, 1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazole-5-thiol, 1-(3,4-dimethylphenyl)-1H-tetraazole-5-thiol
Technical Specifications
| Molecular Formula | C9H10N4S |
| Molecular Weight | 206.06262 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.06262 Da |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
| SMILES | CC1=C(C=C(C=C1)N2C(=S)N=NN2)C |
| InChIKey | YMJBFGNECRVKEH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol
The XLogP value of 3.5 indicates that 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol is 135965-05-8.
What is the molecular formula of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol is C9H10N4S.
What is the molecular weight of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol is 206.06262 g/mol.
Where can I buy 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-dimethylphenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.