氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯
TL;DR: 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 (CAS 64057-87-0) is a chemical compound with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯
methyl 2-[benzyl(methyl)carbamothioyl]sulfanylacetate
Also Known As: Acetic acid, methyl ester, Carbomethoxymethyl benzylmethyl dithiocarbamate, methyl 2-[benzyl(methyl)carbamothioyl]sulfanylacetate, Methyl {[benzyl(methyl)carbamothioyl]sulfanyl}acetate, [[[Methyl(phenylmethyl)amino]thioxomethyl]thio]acetic acid methyl ester
| Molecular Formula | C12H15NO2S2 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 269.0544 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 64057-87-0 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=S)SCC(=O)OC |
| InChIKey | WALPFCHWMYDJPG-UHFFFAOYSA-N |
Product Overview
氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 (CAS 64057-87-0), with molecular formula C12H15NO2S2 and molecular weight 269.05 g/mol. IUPAC: methyl 2-[benzyl(methyl)carbamothioyl]sulfanylacetate.
Chemical Property Profile of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯
Property Insights of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯. Following Lipinski's Rule of Five, 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 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 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯?
The CAS number of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 is 64057-87-0.
What is the molecular formula of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯?
The molecular formula of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 is C12H15NO2S2.
What is the molecular weight of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯?
The molecular weight of 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 is 269.05 g/mol.
Where can I buy 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯?
You can request a quote for 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 氨基甲酸甲酯甲基苄基甲基二硫代氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.