Carbamodithioic acid, dimethyl-, ethyl ester
TL;DR: Carbamodithioic acid, dimethyl-, ethyl ester (CAS 617-38-9) is a chemical compound with molecular formula C5H11NS2 and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N,N-dimethylcarbamodithioate
Also Known As: Preparation 23, Ethyl dimethyldithiocarbamate, Ethyl dimethylcarbamodithioate, Carbamodithioic acid, dimethyl-, ethyl ester, ethyl N,N-dimethylcarbamodithioate
| Molecular Formula | C5H11NS2 |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.0333 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 617-38-9 |
|---|---|
| SMILES | CCSC(=S)N(C)C |
| InChIKey | VPNCITAAFMVUKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamodithioic acid, dimethyl-, ethyl ester (CAS 617-38-9), with molecular formula C5H11NS2 and molecular weight 149.03 g/mol. IUPAC: ethyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, dimethyl-, ethyl ester
Property Insights of Carbamodithioic acid, dimethyl-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, dimethyl-, ethyl ester. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, dimethyl-, ethyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, dimethyl-, ethyl ester has 0 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 Carbamodithioic acid, dimethyl-, ethyl ester?
The CAS number of Carbamodithioic acid, dimethyl-, ethyl ester is 617-38-9.
What is the molecular formula of Carbamodithioic acid, dimethyl-, ethyl ester?
The molecular formula of Carbamodithioic acid, dimethyl-, ethyl ester is C5H11NS2.
What is the molecular weight of Carbamodithioic acid, dimethyl-, ethyl ester?
The molecular weight of Carbamodithioic acid, dimethyl-, ethyl ester is 149.03 g/mol.
Where can I buy Carbamodithioic acid, dimethyl-, ethyl ester?
You can request a quote for Carbamodithioic acid, dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.