(4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
TL;DR: (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate (CAS 39252-35-2) is a chemical compound with molecular formula C14H21NOS2 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
Also Known As: (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate, (4-Hydroxy-3,5-dimethylphenyl)methyl diethylcarbamodithioate, (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithi
| Molecular Formula | C14H21NOS2 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.10645 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 39252-35-2 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=CC(=C(C(=C1)C)O)C |
| InChIKey | IMKGIRJLQSRRSL-UHFFFAOYSA-N |
Product Overview
(4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate (CAS 39252-35-2), with molecular formula C14H21NOS2 and molecular weight 283.11 g/mol. IUPAC: (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
Property Insights of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate
The XLogP value of 3.9 indicates that (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate has 1 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 (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate?
The CAS number of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate is 39252-35-2.
What is the molecular formula of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate?
The molecular formula of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate is C14H21NOS2.
What is the molecular weight of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate?
The molecular weight of (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate is 283.11 g/mol.
Where can I buy (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate?
You can request a quote for (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-hydroxy-3,5-dimethylphenyl)methyl N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.