Ethyl carbamodithioate
TL;DR: Ethyl carbamodithioate (CAS 625-61-6) 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.
ethyl carbamodithioate
Also Known As: ethyl carbamodithioate, ethyl dithiocarbamate, ethylsulfanylmethanethioamide, (ethylsulfanyl)carbothioamide, Carbamodithioic acid,ethyl ester
| Molecular Formula | C3H7NS2 |
|---|---|
| Molecular Weight | 121.00 g/mol |
| LogP | 0.9831 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.00199 |
| Heavy Atoms | 6 |
| Complexity | 52.754887 |
Chemical Identifiers
| CAS Number | 625-61-6 |
|---|---|
| SMILES | CCSC(=S)N |
Product Overview
Ethyl carbamodithioate (CAS 625-61-6), with molecular formula C3H7NS2 and molecular weight 121.00 g/mol. IUPAC: ethyl carbamodithioate.
Chemical Property Profile of Ethyl carbamodithioate
Property Insights of Ethyl carbamodithioate
The XLogP value of 0.9831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl carbamodithioate. With a topological polar surface area (TPSA) of 26.02 Ų, Ethyl carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl carbamodithioate has 1 hydrogen bond donor(s) and 2 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 Ethyl carbamodithioate?
The CAS number of Ethyl carbamodithioate is 625-61-6.
What is the molecular formula of Ethyl carbamodithioate?
The molecular formula of Ethyl carbamodithioate is C3H7NS2.
What is the molecular weight of Ethyl carbamodithioate?
The molecular weight of Ethyl carbamodithioate is 121.00 g/mol.
Where can I buy Ethyl carbamodithioate?
You can request a quote for Ethyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.