Phenyl 4-methylbenzenecarbodithioate
TL;DR: Phenyl 4-methylbenzenecarbodithioate (CAS 20849-31-4) is a chemical compound with molecular formula C14H12S2 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-methylbenzenecarbodithioate
Also Known As: phenyl 4-methylbenzenecarbodithioate, (4-methylphenyl)phenylthiomethane-1-thione, AB-131/42300850
| Molecular Formula | C14H12S2 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 4.46282 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.03804 |
| Heavy Atoms | 16 |
| Complexity | 471.84836 |
Chemical Identifiers
| CAS Number | 20849-31-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)SC2=CC=CC=C2 |
Product Overview
Phenyl 4-methylbenzenecarbodithioate (CAS 20849-31-4), with molecular formula C14H12S2 and molecular weight 244.04 g/mol. IUPAC: phenyl 4-methylbenzenecarbodithioate.
Chemical Property Profile of Phenyl 4-methylbenzenecarbodithioate
Property Insights of Phenyl 4-methylbenzenecarbodithioate
The XLogP value of 4.46282 indicates that Phenyl 4-methylbenzenecarbodithioate 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 4-methylbenzenecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-methylbenzenecarbodithioate 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 Phenyl 4-methylbenzenecarbodithioate?
The CAS number of Phenyl 4-methylbenzenecarbodithioate is 20849-31-4.
What is the molecular formula of Phenyl 4-methylbenzenecarbodithioate?
The molecular formula of Phenyl 4-methylbenzenecarbodithioate is C14H12S2.
What is the molecular weight of Phenyl 4-methylbenzenecarbodithioate?
The molecular weight of Phenyl 4-methylbenzenecarbodithioate is 244.04 g/mol.
Where can I buy Phenyl 4-methylbenzenecarbodithioate?
You can request a quote for Phenyl 4-methylbenzenecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-methylbenzenecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-methylbenzenecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.