Methyl N2-acetyldithiocarbazate
TL;DR: Methyl N2-acetyldithiocarbazate (CAS 20198-75-8) is a chemical compound with molecular formula C4H8N2OS2 and molecular weight 164.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-acetamidocarbamodithioate
Also Known As: methyl N-acetamidocarbamodithioate, METHYL N2-ACETYLDITHIOCARBAZATE, N'-methylsulfanylcarbothioylacetohydrazide, methyl ester of N2-acetyl-dithiocarbazic acid
| Molecular Formula | C4H8N2OS2 |
|---|---|
| Molecular Weight | 164.01 g/mol |
| LogP | 0.275 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.00781 |
| Heavy Atoms | 9 |
| Complexity | 125.736046 |
Chemical Identifiers
| CAS Number | 20198-75-8 |
|---|---|
| SMILES | CC(=O)NNC(=S)SC |
Product Overview
Methyl N2-acetyldithiocarbazate (CAS 20198-75-8), with molecular formula C4H8N2OS2 and molecular weight 164.01 g/mol. IUPAC: methyl N-acetamidocarbamodithioate.
Chemical Property Profile of Methyl N2-acetyldithiocarbazate
Property Insights of Methyl N2-acetyldithiocarbazate
The XLogP value of 0.275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N2-acetyldithiocarbazate. With a topological polar surface area (TPSA) of 41.13 Ų, Methyl N2-acetyldithiocarbazate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N2-acetyldithiocarbazate has 2 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 Methyl N2-acetyldithiocarbazate?
The CAS number of Methyl N2-acetyldithiocarbazate is 20198-75-8.
What is the molecular formula of Methyl N2-acetyldithiocarbazate?
The molecular formula of Methyl N2-acetyldithiocarbazate is C4H8N2OS2.
What is the molecular weight of Methyl N2-acetyldithiocarbazate?
The molecular weight of Methyl N2-acetyldithiocarbazate is 164.01 g/mol.
Where can I buy Methyl N2-acetyldithiocarbazate?
You can request a quote for Methyl N2-acetyldithiocarbazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N2-acetyldithiocarbazate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N2-acetyldithiocarbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.