Phenyl 2,4,6-trimethylbenzenecarbodithioate
TL;DR: Phenyl 2,4,6-trimethylbenzenecarbodithioate (CAS 20876-79-3) is a chemical compound with molecular formula C16H16S2 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,4,6-trimethylbenzenecarbodithioate
Also Known As: phenyl 2,4,6-trimethylbenzenecarbodithioate, Phenyl-mesityl-dithiocarboxylat, Benzenecarbodithioic acid, 2,4,6-trimethyl-, phenyl ester, Phenyl 2,4,6-trimethylbenzene-1-carbodithioate, AB-131/40897068
| Molecular Formula | C16H16S2 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 5.07966 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.06934 |
| Heavy Atoms | 18 |
| Complexity | 547.9009 |
Chemical Identifiers
| CAS Number | 20876-79-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=S)SC2=CC=CC=C2)C |
Product Overview
Phenyl 2,4,6-trimethylbenzenecarbodithioate (CAS 20876-79-3), with molecular formula C16H16S2 and molecular weight 272.07 g/mol. IUPAC: phenyl 2,4,6-trimethylbenzenecarbodithioate.
Chemical Property Profile of Phenyl 2,4,6-trimethylbenzenecarbodithioate
Property Insights of Phenyl 2,4,6-trimethylbenzenecarbodithioate
The XLogP value of 5.07966 indicates that Phenyl 2,4,6-trimethylbenzenecarbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Phenyl 2,4,6-trimethylbenzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2,4,6-trimethylbenzenecarbodithioate 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 Phenyl 2,4,6-trimethylbenzenecarbodithioate?
The CAS number of Phenyl 2,4,6-trimethylbenzenecarbodithioate is 20876-79-3.
What is the molecular formula of Phenyl 2,4,6-trimethylbenzenecarbodithioate?
The molecular formula of Phenyl 2,4,6-trimethylbenzenecarbodithioate is C16H16S2.
What is the molecular weight of Phenyl 2,4,6-trimethylbenzenecarbodithioate?
The molecular weight of Phenyl 2,4,6-trimethylbenzenecarbodithioate is 272.07 g/mol.
Where can I buy Phenyl 2,4,6-trimethylbenzenecarbodithioate?
You can request a quote for Phenyl 2,4,6-trimethylbenzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,4,6-trimethylbenzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,4,6-trimethylbenzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.