![5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile structure](/static/products/3384/338418-70-5.webp)
5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile
TL;DR: 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile (CAS 338418-70-5) is a chemical compound with molecular formula C15H13N5OS2 and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile
Also Known As: 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile, 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-1,2-thiazole-4-carbonitrile, 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile, 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]isothiazole-4-carbonitrile, C15H13N5OS2
| Molecular Formula | C15H13N5OS2 |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.3126 |
| Topological Polar Surface Area | 87.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.05615 |
| Heavy Atoms | 23 |
| Complexity | 822.0124 |
Chemical Identifiers
| CAS Number | 338418-70-5 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC2=NC(=NN2)COC3=CC=CC=C3)C#N |
Product Overview
5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile (CAS 338418-70-5), with molecular formula C15H13N5OS2 and molecular weight 343.06 g/mol. IUPAC: 5-methyl-3-[[3-(phenoxymethyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile
Property Insights of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile
The XLogP value of 3.3126 indicates that 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile has 1 hydrogen bond donor(s) and 7 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 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile?
The CAS number of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile is 338418-70-5.
What is the molecular formula of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile?
The molecular formula of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile is C15H13N5OS2.
What is the molecular weight of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile?
The molecular weight of 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile is 343.06 g/mol.
Where can I buy 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile?
You can request a quote for 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-({[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.