Ethylcarbamodithioic acid
TL;DR: Ethylcarbamodithioic acid (CAS 13036-87-8) is a chemical compound with molecular formula C3H7NS2 and molecular weight 121.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethylcarbamodithioic acid
Also Known As: ethylcarbamodithioic acid, Ethyldithiocarbamic acid, N-ethyldithiocarbamic acid, MEDTC, ethyliminomethanedithiol
| Molecular Formula | C3H7NS2 |
|---|---|
| Molecular Weight | 121.00 g/mol |
| LogP | 0.8106 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.00199 |
| Heavy Atoms | 6 |
| Complexity | 52.754887 |
Chemical Identifiers
| CAS Number | 13036-87-8 |
|---|---|
| SMILES | CCNC(=S)S |
Product Overview
Ethylcarbamodithioic acid (CAS 13036-87-8), with molecular formula C3H7NS2 and molecular weight 121.00 g/mol. IUPAC: ethylcarbamodithioic acid.
Chemical Property Profile of Ethylcarbamodithioic acid
Property Insights of Ethylcarbamodithioic acid
The XLogP value of 0.8106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylcarbamodithioic acid. With a topological polar surface area (TPSA) of 12.03 Ų, Ethylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylcarbamodithioic acid has 2 hydrogen bond donor(s) and 1 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 Ethylcarbamodithioic acid?
The CAS number of Ethylcarbamodithioic acid is 13036-87-8.
What is the molecular formula of Ethylcarbamodithioic acid?
The molecular formula of Ethylcarbamodithioic acid is C3H7NS2.
What is the molecular weight of Ethylcarbamodithioic acid?
The molecular weight of Ethylcarbamodithioic acid is 121.00 g/mol.
Where can I buy Ethylcarbamodithioic acid?
You can request a quote for Ethylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for Ethylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.