1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide
TL;DR: 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide (CAS 53918-41-5) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-5-prop-2-ynylsulfanyltetrazole
Also Known As: 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide, 1-phenyl-5-prop-2-ynylsulfanyltetrazole, 1-phenyl-5-propargylthio-1H-tetrazole, 1H-Tetrazole, 1-phenyl-5-(2-propyn-1-ylthio)-, 1-Phenyl-5-(2-propynylthio)-1H-tetraazole
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 53918-41-5 |
|---|---|
| SMILES | C#CCSC1=NN=NN1C2=CC=CC=C2 |
| InChIKey | IQGCLAHBIJSVEY-UHFFFAOYSA-N |
Product Overview
1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide (CAS 53918-41-5), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 1-phenyl-5-prop-2-ynylsulfanyltetrazole.
Chemical Property Profile of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide
Property Insights of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide. Following Lipinski's Rule of Five, 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide has 0 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 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide?
The CAS number of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide is 53918-41-5.
What is the molecular formula of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide?
The molecular formula of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide is C10H8N4S.
What is the molecular weight of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide?
The molecular weight of 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide is 216.05 g/mol.
Where can I buy 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide?
You can request a quote for 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1H-tetraazol-5-yl 2-propynyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.