3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide
TL;DR: 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide (CAS 6656-85-5) is a chemical compound with molecular formula C17H27NOS and molecular weight 293.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide
Also Known As: AB00290843-03, 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide, 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzothioamide, 2,6-bis(tert-butyl)-4-[(dimethylamino)thioxomethyl]phenol, 2,6-ditert-butyl-4-[dimethylamino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C17H27NOS |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 4.2243 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.18134 |
| Heavy Atoms | 20 |
| Complexity | 483.76715 |
Chemical Identifiers
| CAS Number | 6656-85-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)N(C)C |
Product Overview
3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide (CAS 6656-85-5), with molecular formula C17H27NOS and molecular weight 293.18 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide.
Chemical Property Profile of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide
Property Insights of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide
The XLogP value of 4.2243 indicates that 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide 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-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide has 1 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 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide?
The CAS number of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide is 6656-85-5.
What is the molecular formula of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide?
The molecular formula of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide is C17H27NOS.
What is the molecular weight of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide?
The molecular weight of 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide is 293.18 g/mol.
Where can I buy 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide?
You can request a quote for 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide 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-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-di-tert-butyl-4-hydroxy-N,N-dimethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.