3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide
TL;DR: 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide (CAS 307545-27-3) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide, methylbenzyltriazolylsulfide, Bionet2_000459, 3-((3-Methylbenzyl)thio)-1H-1,2,4-triazole, 9762AD
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 307545-27-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC=NN2 |
| InChIKey | SNOLZXFLVLBGMX-UHFFFAOYSA-N |
Product Overview
3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide (CAS 307545-27-3), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 5-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide
Property Insights of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide. Following Lipinski's Rule of Five, 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide 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
Frequently Asked Questions
What is the CAS number of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide?
The CAS number of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide is 307545-27-3.
What is the molecular formula of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide?
The molecular formula of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide is C10H11N3S.
What is the molecular weight of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide?
The molecular weight of 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide is 205.07 g/mol.
Where can I buy 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide?
You can request a quote for 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbenzyl 1H-1,2,4-triazol-3-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.