Cyanomethyl dimethyldithiocarbamate
TL;DR: Cyanomethyl dimethyldithiocarbamate (CAS 61540-35-0) is a chemical compound with molecular formula C5H8N2S2 and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl N,N-dimethylcarbamodithioate
Also Known As: Cyanomethyl dimethyldithiocarbamate, cyanomethyl dimethylcarbamodithioate, 2-[(dimethylcarbamothioyl)sulfanyl]acetonitrile, cyanomethyl N,N-dimethylcarbamodithioate, EINECS 262-833-8
| Molecular Formula | C5H8N2S2 |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | 1.08968 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.0129 |
| Heavy Atoms | 9 |
| Complexity | 136.38365 |
Chemical Identifiers
| CAS Number | 61540-35-0 |
|---|---|
| SMILES | CN(C)C(=S)SCC#N |
Product Overview
Cyanomethyl dimethyldithiocarbamate (CAS 61540-35-0), with molecular formula C5H8N2S2 and molecular weight 160.01 g/mol. IUPAC: cyanomethyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Cyanomethyl dimethyldithiocarbamate
Property Insights of Cyanomethyl dimethyldithiocarbamate
The XLogP value of 1.08968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanomethyl dimethyldithiocarbamate. With a topological polar surface area (TPSA) of 27.03 Ų, Cyanomethyl dimethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanomethyl dimethyldithiocarbamate 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 Cyanomethyl dimethyldithiocarbamate?
The CAS number of Cyanomethyl dimethyldithiocarbamate is 61540-35-0.
What is the molecular formula of Cyanomethyl dimethyldithiocarbamate?
The molecular formula of Cyanomethyl dimethyldithiocarbamate is C5H8N2S2.
What is the molecular weight of Cyanomethyl dimethyldithiocarbamate?
The molecular weight of Cyanomethyl dimethyldithiocarbamate is 160.01 g/mol.
Where can I buy Cyanomethyl dimethyldithiocarbamate?
You can request a quote for Cyanomethyl dimethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanomethyl dimethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Cyanomethyl dimethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.