3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide (CAS 112163-13-0) is a chemical compound with molecular formula C15H23NOS and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-4-hydroxybenzenecarbothioamide
Also Known As: starbld0012222, 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide, 3,5-Di-tert-butyl-4-hydroxybenzothioamide, 3,5-ditert-butyl-4-hydroxybenzenecarbothioamide, 3,5-ditert-butyl-4-hydroxy-benzenecarbothioamide
| Molecular Formula | C15H23NOS |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 3.6214 |
| Topological Polar Surface Area | 46.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.15002 |
| Heavy Atoms | 18 |
| Complexity | 443.24258 |
Chemical Identifiers
| CAS Number | 112163-13-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)N |
Product Overview
3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide (CAS 112163-13-0), with molecular formula C15H23NOS and molecular weight 265.15 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxybenzenecarbothioamide.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide
The XLogP value of 3.6214 indicates that 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.25 Ų, 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide has 2 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-hydroxybenzene-1-carbothioamide?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is 112163-13-0.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is C15H23NOS.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide is 265.15 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide 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-hydroxybenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.