Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester
TL;DR: Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester (CAS 112165-11-4) is a chemical compound with molecular formula C10H21NS3 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-ylsulfanylethyl N,N-diethylcarbamodithioate
Also Known As: 1-((1-Methylethyl)thio)ethyl diethylcarbamodithioate, Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester, 1-propan-2-ylsulfanylethyl N,N-diethylcarbamodithioate, 1-[(Propan-2-yl)sulfanyl]ethyl diethylcarbamodithioate, BRN 4244907
| Molecular Formula | C10H21NS3 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 3.8339 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.08362 |
| Heavy Atoms | 14 |
| Complexity | 166.75005 |
Chemical Identifiers
| CAS Number | 112165-11-4 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C)SC(C)C |
Product Overview
Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester (CAS 112165-11-4), with molecular formula C10H21NS3 and molecular weight 251.08 g/mol. IUPAC: 1-propan-2-ylsulfanylethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester
Property Insights of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester
The XLogP value of 3.8339 indicates that Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester 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 Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester?
The CAS number of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester is 112165-11-4.
What is the molecular formula of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester?
The molecular formula of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester is C10H21NS3.
What is the molecular weight of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester?
The molecular weight of Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester is 251.08 g/mol.
Where can I buy Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester?
You can request a quote for Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)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, diethyl-, 1-((1-methylethyl)thio)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, diethyl-, 1-((1-methylethyl)thio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.