![Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate structure](/static/products/3387/338778-07-7.webp)
Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate
TL;DR: Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate (CAS 338778-07-7) is a chemical compound with molecular formula C14H12N2O2S2 and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate
Also Known As: methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate, Methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate, methyl 2-{[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]methyl}benzoate, methyl 2-[(4-cyano-5-methyl-isothiazol-3-yl)sulfanylmethyl]benzoate, methyl2-{[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C14H12N2O2S2 |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 3.4021 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.03403 |
| Heavy Atoms | 20 |
| Complexity | 674.0537 |
Chemical Identifiers
| CAS Number | 338778-07-7 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC2=CC=CC=C2C(=O)OC)C#N |
Product Overview
Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate (CAS 338778-07-7), with molecular formula C14H12N2O2S2 and molecular weight 304.03 g/mol. IUPAC: methyl 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate
Property Insights of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate
The XLogP value of 3.4021 indicates that Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate?
The CAS number of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate is 338778-07-7.
What is the molecular formula of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate?
The molecular formula of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate is C14H12N2O2S2.
What is the molecular weight of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate?
The molecular weight of Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate is 304.03 g/mol.
Where can I buy Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate?
You can request a quote for Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[(4-cyano-5-methyl-3-isothiazolyl)sulfanyl]methyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.