3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide
TL;DR: 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide (CAS 112163-08-3) is a chemical compound with molecular formula C16H25NOS and molecular weight 279.17 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-methylbenzenecarbothioamide
Also Known As: 3,5-DITERT-BUTYL-4-HYDROXY-N-METHYLBENZENECARBOTHIOAMIDE, 3,5-Di-tert-butyl-4-hydroxy-N-methyl-thiobenzamide, 3,5-di-tert-butyl-4-hydroxy-N-methylbenzenecarbothioamide, 3,5-di-tert-butyl-4-hydroxy-N-methylbenzothioamide, 3,5-Di-tert-butyl-4-hydroxy-N-methylbenzene-1-carbothioamide
| Molecular Formula | C16H25NOS |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 3.8821 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.16568 |
| Heavy Atoms | 19 |
| Complexity | 457.446 |
Chemical Identifiers
| CAS Number | 112163-08-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)NC |
Product Overview
3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide (CAS 112163-08-3), with molecular formula C16H25NOS and molecular weight 279.17 g/mol. IUPAC: 3,5-ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide.
Chemical Property Profile of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide
Property Insights of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide
The XLogP value of 3.8821 indicates that 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide 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-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide?
The CAS number of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide is 112163-08-3.
What is the molecular formula of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide?
The molecular formula of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide is C16H25NOS.
What is the molecular weight of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide?
The molecular weight of 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide is 279.17 g/mol.
Where can I buy 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide?
You can request a quote for 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditert-butyl-4-hydroxy-N-methylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.