3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate
TL;DR: 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate (CAS 4115-52-0) is a chemical compound with molecular formula C18H29NOS2 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butyl-4-hydroxyphenyl)methyl N,N-dimethylcarbamodithioate
Also Known As: 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate, AB00629818-03, AB00629818-04, AI-020/33342016, 3,5-ditert-butyl-4-hydroxybenzyl dimethyldithiocarbamate
| Molecular Formula | C18H29NOS2 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 5.0669 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.16907 |
| Heavy Atoms | 22 |
| Complexity | 516.1812 |
Chemical Identifiers
| CAS Number | 4115-52-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=S)N(C)C |
Product Overview
3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate (CAS 4115-52-0), with molecular formula C18H29NOS2 and molecular weight 339.17 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate
Property Insights of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate
The XLogP value of 5.0669 indicates that 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate?
The CAS number of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate is 4115-52-0.
What is the molecular formula of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate?
The molecular formula of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate is C18H29NOS2.
What is the molecular weight of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate?
The molecular weight of 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate is 339.17 g/mol.
Where can I buy 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate?
You can request a quote for 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-t-butyl-4-hydroxybenzyl N,N-dimethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.