Carbamodithioic acid, dimethyl, propyl ester
TL;DR: Carbamodithioic acid, dimethyl, propyl ester (CAS 19047-76-8) is a chemical compound with molecular formula C6H13NS2 and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl N,N-dimethylcarbamodithioate
Also Known As: Propyl dimethylcarbamodithioate, Carbamodithioic acid, dimethyl, propyl ester, propyl N,N-dimethylcarbamodithioate, Carbamodithioic acid, dimethyl-, propyl ester, RefChem:332846
| Molecular Formula | C6H13NS2 |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.04893 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 19047-76-8 |
|---|---|
| SMILES | CCCSC(=S)N(C)C |
| InChIKey | DAFYGLFCAJUUGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamodithioic acid, dimethyl, propyl ester (CAS 19047-76-8), with molecular formula C6H13NS2 and molecular weight 163.05 g/mol. IUPAC: propyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, dimethyl, propyl ester
Property Insights of Carbamodithioic acid, dimethyl, propyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, dimethyl, propyl ester. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, dimethyl, propyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, dimethyl, propyl 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, propyl ester?
The CAS number of Carbamodithioic acid, dimethyl, propyl ester is 19047-76-8.
What is the molecular formula of Carbamodithioic acid, dimethyl, propyl ester?
The molecular formula of Carbamodithioic acid, dimethyl, propyl ester is C6H13NS2.
What is the molecular weight of Carbamodithioic acid, dimethyl, propyl ester?
The molecular weight of Carbamodithioic acid, dimethyl, propyl ester is 163.05 g/mol.
Where can I buy Carbamodithioic acid, dimethyl, propyl ester?
You can request a quote for Carbamodithioic acid, dimethyl, propyl 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, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, dimethyl, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.