Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-
TL;DR: Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- (CAS 34114-04-0) is a chemical compound with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(5-tert-butyl-1,3-benzoxazol-2-yl)benzenethiol
Also Known As: Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-, 2,5-bis(5'-tert-butyl-2'-benzoxazolyl)thiophene, 2,5-Bis(5-(tert-butyl)benzo[d]oxazol-2-yl)benzenethiol, (6Z)-3-(5-tert-butylbenzooxazol-2-yl)-6-(5-tert-butyl-3H-benzooxazol-2-ylidene)cyclohexa-2,4-diene-1-thione, (6Z)-3-(5-tert-butyl-1,3-benzoxazol-2-yl)-6-(5-tert-butyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,4-diene-1-thione
| Molecular Formula | C28H28N2O2S |
|---|---|
| Molecular Weight | 456.19 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.18716 |
| Heavy Atoms | 33 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 34114-04-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C)S |
| InChIKey | HVHUPWGZKSHWMT-UHFFFAOYSA-N |
Product Overview
Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- (CAS 34114-04-0), with molecular formula C28H28N2O2S and molecular weight 456.19 g/mol. IUPAC: 2,5-bis(5-tert-butyl-1,3-benzoxazol-2-yl)benzenethiol.
Chemical Property Profile of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-
Property Insights of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-
The XLogP value of 8.4 indicates that Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-?
The CAS number of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- is 34114-04-0.
What is the molecular formula of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-?
The molecular formula of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- is C28H28N2O2S.
What is the molecular weight of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-?
The molecular weight of Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- is 456.19 g/mol.
Where can I buy Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-?
You can request a quote for Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, 2,5-bis(5-tert-butyl-2-benzoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.