Methyl 4-(methoxycarbonothioyl)benzoate
TL;DR: Methyl 4-(methoxycarbonothioyl)benzoate (CAS 64148-56-7) is a chemical compound with molecular formula C10H10O3S and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxycarbothioylbenzoate
Also Known As: dimethyl thioterephthalate, methyl 4-methoxycarbothioylbenzoate, Methyl 4-(methoxycarbonothioyl)benzoate, BENZOIC ACID,4-(METHOXYTHIOXOMETHYL)-, METHYL ESTER, RefChem:355469
| Molecular Formula | C10H10O3S |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.03506 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 64148-56-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=S)OC |
| InChIKey | WXUOBTSFEGKRKY-UHFFFAOYSA-N |
Product Overview
Methyl 4-(methoxycarbonothioyl)benzoate (CAS 64148-56-7), with molecular formula C10H10O3S and molecular weight 210.04 g/mol. IUPAC: methyl 4-methoxycarbothioylbenzoate.
Chemical Property Profile of Methyl 4-(methoxycarbonothioyl)benzoate
Property Insights of Methyl 4-(methoxycarbonothioyl)benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methoxycarbonothioyl)benzoate. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(methoxycarbonothioyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(methoxycarbonothioyl)benzoate 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-(methoxycarbonothioyl)benzoate?
The CAS number of Methyl 4-(methoxycarbonothioyl)benzoate is 64148-56-7.
What is the molecular formula of Methyl 4-(methoxycarbonothioyl)benzoate?
The molecular formula of Methyl 4-(methoxycarbonothioyl)benzoate is C10H10O3S.
What is the molecular weight of Methyl 4-(methoxycarbonothioyl)benzoate?
The molecular weight of Methyl 4-(methoxycarbonothioyl)benzoate is 210.04 g/mol.
Where can I buy Methyl 4-(methoxycarbonothioyl)benzoate?
You can request a quote for Methyl 4-(methoxycarbonothioyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(methoxycarbonothioyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methoxycarbonothioyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.