Ethylmethylthiocarbamic thioanhydride
TL;DR: Ethylmethylthiocarbamic thioanhydride (CAS 61900-98-9) is a chemical compound with molecular formula C8H16N2S3 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[ethyl(methyl)carbamothioyl] N-ethyl-N-methylcarbamodithioate
Also Known As: Ethylmethylthiocarbamic thioanhydride, ethylmethylthiocarbamicthioanhydride, Bis(ethylmethylthiocarbamoyl) sulfide, Carbamodithioic acid, ethylmethyl-, anhydrosulfide, n,n'-diethyl-n,n'-dimethyldicarbonotrithioic diamide
| Molecular Formula | C8H16N2S3 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.04756 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 61900-98-9 |
|---|---|
| SMILES | CCN(C)C(=S)SC(=S)N(C)CC |
| InChIKey | LMQXSAPNCIVZSX-UHFFFAOYSA-N |
Product Overview
Ethylmethylthiocarbamic thioanhydride (CAS 61900-98-9), with molecular formula C8H16N2S3 and molecular weight 236.05 g/mol. IUPAC: [ethyl(methyl)carbamothioyl] N-ethyl-N-methylcarbamodithioate.
Chemical Property Profile of Ethylmethylthiocarbamic thioanhydride
Property Insights of Ethylmethylthiocarbamic thioanhydride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylmethylthiocarbamic thioanhydride. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylmethylthiocarbamic thioanhydride. Following Lipinski's Rule of Five, Ethylmethylthiocarbamic thioanhydride 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 Ethylmethylthiocarbamic thioanhydride?
The CAS number of Ethylmethylthiocarbamic thioanhydride is 61900-98-9.
What is the molecular formula of Ethylmethylthiocarbamic thioanhydride?
The molecular formula of Ethylmethylthiocarbamic thioanhydride is C8H16N2S3.
What is the molecular weight of Ethylmethylthiocarbamic thioanhydride?
The molecular weight of Ethylmethylthiocarbamic thioanhydride is 236.05 g/mol.
Where can I buy Ethylmethylthiocarbamic thioanhydride?
You can request a quote for Ethylmethylthiocarbamic thioanhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylmethylthiocarbamic thioanhydride?
Yes, KEHONG BIO provides custom synthesis services for Ethylmethylthiocarbamic thioanhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.