Methyl 4-methylsulfanylcarbothioylbenzoate
TL;DR: Methyl 4-methylsulfanylcarbothioylbenzoate (CAS 5874-11-3) is a chemical compound with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methylsulfanylcarbothioylbenzoate
Also Known As: methyl 4-methylsulfanylcarbothioylbenzoate, 1-(2,3-diphenylquinoxalin-6-yl)-3-(3-hydroxypropyl)urea
| Molecular Formula | C10H10O2S2 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.01222 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 5874-11-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=S)SC |
| InChIKey | UWLFAQFVSLHTSJ-UHFFFAOYSA-N |
Product Overview
Methyl 4-methylsulfanylcarbothioylbenzoate (CAS 5874-11-3), with molecular formula C10H10O2S2 and molecular weight 226.01 g/mol. IUPAC: methyl 4-methylsulfanylcarbothioylbenzoate.
Chemical Property Profile of Methyl 4-methylsulfanylcarbothioylbenzoate
Property Insights of Methyl 4-methylsulfanylcarbothioylbenzoate
The XLogP value of 3.3 indicates that Methyl 4-methylsulfanylcarbothioylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-methylsulfanylcarbothioylbenzoate. Following Lipinski's Rule of Five, Methyl 4-methylsulfanylcarbothioylbenzoate 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 Methyl 4-methylsulfanylcarbothioylbenzoate?
The CAS number of Methyl 4-methylsulfanylcarbothioylbenzoate is 5874-11-3.
What is the molecular formula of Methyl 4-methylsulfanylcarbothioylbenzoate?
The molecular formula of Methyl 4-methylsulfanylcarbothioylbenzoate is C10H10O2S2.
What is the molecular weight of Methyl 4-methylsulfanylcarbothioylbenzoate?
The molecular weight of Methyl 4-methylsulfanylcarbothioylbenzoate is 226.01 g/mol.
Where can I buy Methyl 4-methylsulfanylcarbothioylbenzoate?
You can request a quote for Methyl 4-methylsulfanylcarbothioylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methylsulfanylcarbothioylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methylsulfanylcarbothioylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.