S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
TL;DR: S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate (CAS 13512-05-5) is a chemical compound with molecular formula C18H29NOS and molecular weight 307.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
Also Known As: S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate, S-(2,6-Di-tert-butyl-4-methylphenyl) dimethylcarbamothioate
| Molecular Formula | C18H29NOS |
|---|---|
| Molecular Weight | 307.20 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.197 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 13512-05-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)SC(=O)N(C)C)C(C)(C)C |
| InChIKey | WTJRUEUBEVLAJG-UHFFFAOYSA-N |
Product Overview
S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate (CAS 13512-05-5), with molecular formula C18H29NOS and molecular weight 307.20 g/mol. IUPAC: S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
Property Insights of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
The XLogP value of 5.9 indicates that S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate?
The CAS number of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate is 13512-05-5.
What is the molecular formula of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate?
The molecular formula of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate is C18H29NOS.
What is the molecular weight of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate?
The molecular weight of S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate is 307.20 g/mol.
Where can I buy S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate?
You can request a quote for S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.