2,4,4-Trimethylpent-2-yl dithiobenzoate
TL;DR: 2,4,4-Trimethylpent-2-yl dithiobenzoate (CAS 201611-86-1) is a chemical compound with molecular formula C15H22S2 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentan-2-yl benzenecarbodithioate
Also Known As: 2,4,4-trimethylpent-2-yl dithiobenzoate, J1.367.754I, 2,4,4-TRIMETHYLPENTAN-2-YL BENZENECARBODITHIOATE, Dithiobenzoic acid 1,1,3,3-tetramethylbutyl ester, Benzenecarbodithioic acid, 1,1,3,3-tetramethylbutyl ester
| Molecular Formula | C15H22S2 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 5.3101 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1163 |
| Heavy Atoms | 17 |
| Complexity | 371.65833 |
Chemical Identifiers
| CAS Number | 201611-86-1 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)SC(=S)C1=CC=CC=C1 |
Product Overview
2,4,4-Trimethylpent-2-yl dithiobenzoate (CAS 201611-86-1), with molecular formula C15H22S2 and molecular weight 266.12 g/mol. IUPAC: 2,4,4-trimethylpentan-2-yl benzenecarbodithioate.
Chemical Property Profile of 2,4,4-Trimethylpent-2-yl dithiobenzoate
Property Insights of 2,4,4-Trimethylpent-2-yl dithiobenzoate
The XLogP value of 5.3101 indicates that 2,4,4-Trimethylpent-2-yl 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, 2,4,4-Trimethylpent-2-yl dithiobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethylpent-2-yl dithiobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,4-Trimethylpent-2-yl dithiobenzoate?
The CAS number of 2,4,4-Trimethylpent-2-yl dithiobenzoate is 201611-86-1.
What is the molecular formula of 2,4,4-Trimethylpent-2-yl dithiobenzoate?
The molecular formula of 2,4,4-Trimethylpent-2-yl dithiobenzoate is C15H22S2.
What is the molecular weight of 2,4,4-Trimethylpent-2-yl dithiobenzoate?
The molecular weight of 2,4,4-Trimethylpent-2-yl dithiobenzoate is 266.12 g/mol.
Where can I buy 2,4,4-Trimethylpent-2-yl dithiobenzoate?
You can request a quote for 2,4,4-Trimethylpent-2-yl dithiobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethylpent-2-yl dithiobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethylpent-2-yl dithiobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.