Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate
TL;DR: Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate (CAS 887569-88-2) is a chemical compound with molecular formula C16H16OS2 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate
Also Known As: phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate, AB-131/25126038, Phenyl 4-methoxy-2,5-dimethylbenzene-1-carbodithioate
| Molecular Formula | C16H16OS2 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 4.77984 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.06427 |
| Heavy Atoms | 19 |
| Complexity | 591.198 |
Chemical Identifiers
| CAS Number | 887569-88-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C)C(=S)SC2=CC=CC=C2 |
Product Overview
Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate (CAS 887569-88-2), with molecular formula C16H16OS2 and molecular weight 288.06 g/mol. IUPAC: phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate.
Chemical Property Profile of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate
Property Insights of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate
The XLogP value of 4.77984 indicates that Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate has 0 hydrogen bond donor(s) and 3 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 Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate?
The CAS number of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate is 887569-88-2.
What is the molecular formula of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate?
The molecular formula of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate is C16H16OS2.
What is the molecular weight of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate?
The molecular weight of Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate is 288.06 g/mol.
Where can I buy Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate?
You can request a quote for Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-methoxy-2,5-dimethylbenzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.