Ethyl N-methyl-N-formyldithiocarbamate
TL;DR: Ethyl N-methyl-N-formyldithiocarbamate (CAS 102127-59-3) is a chemical compound with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-formyl-N-methylcarbamodithioate
Also Known As: Ethyl N-methyl-N-formyldithiocarbamate, Ethyl formyl(methyl)carbamodithioate, ethyl N-formyl-N-methylcarbamodithioate, Ethyl formyl(methyl)dithiocarbamate, Ethyl formyl(methyl)dithiocarbamate #
| Molecular Formula | C5H9NOS2 |
|---|---|
| Molecular Weight | 163.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.01256 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 102127-59-3 |
|---|---|
| SMILES | CCSC(=S)N(C)C=O |
| InChIKey | AMARMQSDRABEDM-UHFFFAOYSA-N |
Product Overview
Ethyl N-methyl-N-formyldithiocarbamate (CAS 102127-59-3), with molecular formula C5H9NOS2 and molecular weight 163.01 g/mol. IUPAC: ethyl N-formyl-N-methylcarbamodithioate.
Chemical Property Profile of Ethyl N-methyl-N-formyldithiocarbamate
Property Insights of Ethyl N-methyl-N-formyldithiocarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-methyl-N-formyldithiocarbamate. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-methyl-N-formyldithiocarbamate. Following Lipinski's Rule of Five, Ethyl N-methyl-N-formyldithiocarbamate has 0 hydrogen bond donor(s) and 3 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 Ethyl N-methyl-N-formyldithiocarbamate?
The CAS number of Ethyl N-methyl-N-formyldithiocarbamate is 102127-59-3.
What is the molecular formula of Ethyl N-methyl-N-formyldithiocarbamate?
The molecular formula of Ethyl N-methyl-N-formyldithiocarbamate is C5H9NOS2.
What is the molecular weight of Ethyl N-methyl-N-formyldithiocarbamate?
The molecular weight of Ethyl N-methyl-N-formyldithiocarbamate is 163.01 g/mol.
Where can I buy Ethyl N-methyl-N-formyldithiocarbamate?
You can request a quote for Ethyl N-methyl-N-formyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-methyl-N-formyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-methyl-N-formyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.