3,3,3-Trichloropropyl diethylcarbamodithioate
TL;DR: 3,3,3-Trichloropropyl diethylcarbamodithioate (CAS 95508-52-4) is a chemical compound with molecular formula C8H14Cl3NS2 and molecular weight 292.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trichloropropyl N,N-diethylcarbamodithioate
Also Known As: 3,3,3-trichloropropyl diethylcarbamodithioate, Carbamodithioic acid, diethyl-, trichloropropyl ester, 3,3,3-trichloropropyl N,N-diethyldithiocarbamate, 3,3,3-trichloropropyl N,N-diethylcarbamodithioate, N,N-diethyl-1-(3,3,3-trichloropropylsulfanyl)methanethioamide
| Molecular Formula | C8H14Cl3NS2 |
|---|---|
| Molecular Weight | 292.96 g/mol |
| LogP | 4.1066 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.96332 |
| Heavy Atoms | 14 |
| Complexity | 177.91544 |
Chemical Identifiers
| CAS Number | 95508-52-4 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCC(Cl)(Cl)Cl |
Product Overview
3,3,3-Trichloropropyl diethylcarbamodithioate (CAS 95508-52-4), with molecular formula C8H14Cl3NS2 and molecular weight 292.96 g/mol. IUPAC: 3,3,3-trichloropropyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 3,3,3-Trichloropropyl diethylcarbamodithioate
Property Insights of 3,3,3-Trichloropropyl diethylcarbamodithioate
The XLogP value of 4.1066 indicates that 3,3,3-Trichloropropyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 3,3,3-Trichloropropyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trichloropropyl diethylcarbamodithioate 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 3,3,3-Trichloropropyl diethylcarbamodithioate?
The CAS number of 3,3,3-Trichloropropyl diethylcarbamodithioate is 95508-52-4.
What is the molecular formula of 3,3,3-Trichloropropyl diethylcarbamodithioate?
The molecular formula of 3,3,3-Trichloropropyl diethylcarbamodithioate is C8H14Cl3NS2.
What is the molecular weight of 3,3,3-Trichloropropyl diethylcarbamodithioate?
The molecular weight of 3,3,3-Trichloropropyl diethylcarbamodithioate is 292.96 g/mol.
Where can I buy 3,3,3-Trichloropropyl diethylcarbamodithioate?
You can request a quote for 3,3,3-Trichloropropyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,3-Trichloropropyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,3-Trichloropropyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.