Thiocyanic acid, ester with diethyldithiocarbamate
TL;DR: Thiocyanic acid, ester with diethyldithiocarbamate (CAS 73908-99-3) is a chemical compound with molecular formula C6H10N2S2 and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyano N,N-diethylcarbamodithioate
Also Known As: Diethylthiocarbamyl thiocyanate, Diethylcarbamothioyl thiocyanate, cyano N,N-diethylcarbamodithioate, Carbamic acid, diethyldithio-, thiocyanate, diethylcarbamodithioic acid,thiocyanate
| Molecular Formula | C6H10N2S2 |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 1.82738 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.02853 |
| Heavy Atoms | 10 |
| Complexity | 146.31703 |
Chemical Identifiers
| CAS Number | 73908-99-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SC#N |
Product Overview
Thiocyanic acid, ester with diethyldithiocarbamate (CAS 73908-99-3), with molecular formula C6H10N2S2 and molecular weight 174.03 g/mol. IUPAC: cyano N,N-diethylcarbamodithioate.
Chemical Property Profile of Thiocyanic acid, ester with diethyldithiocarbamate
Property Insights of Thiocyanic acid, ester with diethyldithiocarbamate
The XLogP value of 1.82738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocyanic acid, ester with diethyldithiocarbamate. With a topological polar surface area (TPSA) of 27.03 Ų, Thiocyanic acid, ester with diethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, ester with diethyldithiocarbamate 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 Thiocyanic acid, ester with diethyldithiocarbamate?
The CAS number of Thiocyanic acid, ester with diethyldithiocarbamate is 73908-99-3.
What is the molecular formula of Thiocyanic acid, ester with diethyldithiocarbamate?
The molecular formula of Thiocyanic acid, ester with diethyldithiocarbamate is C6H10N2S2.
What is the molecular weight of Thiocyanic acid, ester with diethyldithiocarbamate?
The molecular weight of Thiocyanic acid, ester with diethyldithiocarbamate is 174.03 g/mol.
Where can I buy Thiocyanic acid, ester with diethyldithiocarbamate?
You can request a quote for Thiocyanic acid, ester with diethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, ester with diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, ester with diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.