2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol
TL;DR: 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol (CAS 2325-07-7) is a chemical compound with molecular formula C16H24OS2 and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate
Also Known As: 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol, methyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate, AE-018/31864031, methyl 3,5-ditert-butyl-4-hydroxy-benzenecarbodithioate, Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzenecarbodithioate
| Molecular Formula | C16H24OS2 |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 5.0257 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.12686 |
| Heavy Atoms | 19 |
| Complexity | 455.446 |
Chemical Identifiers
| CAS Number | 2325-07-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=S)SC |
Product Overview
2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol (CAS 2325-07-7), with molecular formula C16H24OS2 and molecular weight 296.13 g/mol. IUPAC: methyl 3,5-ditert-butyl-4-hydroxybenzenecarbodithioate.
Chemical Property Profile of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol
Property Insights of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol
The XLogP value of 5.0257 indicates that 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol 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 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol?
The CAS number of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol is 2325-07-7.
What is the molecular formula of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol?
The molecular formula of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol is C16H24OS2.
What is the molecular weight of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol?
The molecular weight of 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol is 296.13 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol?
You can request a quote for 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-methylsulfanylcarbothioylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.