Tert-butyl Dithiobenzoate
TL;DR: Tert-butyl Dithiobenzoate (CAS 5925-55-3) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl benzenecarbodithioate
Also Known As: tert-butyl benzodithioate, Tert-butyl Dithiobenzoate, t-butyl dithiobenzoate, 2-Methyl-2-propylbenzodithiolate, TERT-BUTYL BENZENECARBODITHIOATE
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 3.8938 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 282.70862 |
Chemical Identifiers
| CAS Number | 5925-55-3 |
|---|---|
| SMILES | CC(C)(C)SC(=S)C1=CC=CC=C1 |
Product Overview
Tert-butyl Dithiobenzoate (CAS 5925-55-3), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: tert-butyl benzenecarbodithioate.
Chemical Property Profile of Tert-butyl Dithiobenzoate
Property Insights of Tert-butyl Dithiobenzoate
The XLogP value of 3.8938 indicates that Tert-butyl Dithiobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Tert-butyl Dithiobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl Dithiobenzoate has 0 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 Tert-butyl Dithiobenzoate?
The CAS number of Tert-butyl Dithiobenzoate is 5925-55-3.
What is the molecular formula of Tert-butyl Dithiobenzoate?
The molecular formula of Tert-butyl Dithiobenzoate is C11H14S2.
What is the molecular weight of Tert-butyl Dithiobenzoate?
The molecular weight of Tert-butyl Dithiobenzoate is 210.05 g/mol.
Where can I buy Tert-butyl Dithiobenzoate?
You can request a quote for Tert-butyl Dithiobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl Dithiobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl Dithiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.