S-phenyl 4-methylbenzenecarbothioate
TL;DR: S-phenyl 4-methylbenzenecarbothioate (CAS 3128-42-5) is a chemical compound with molecular formula C14H12OS and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 4-methylbenzenecarbothioate
Also Known As: S-phenyl 4-methylbenzothioate, S-phenyl 4-methylbenzenecarbothioate, S-Phenyl 4-methylthiobenzoate, S-Phenyl 4-methylbenzene-1-carbothioate, (4-methylphenyl)-phenylsulfanyl-methanone
| Molecular Formula | C14H12OS |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.92752 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06088 |
| Heavy Atoms | 16 |
| Complexity | 473.84836 |
Chemical Identifiers
| CAS Number | 3128-42-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)SC2=CC=CC=C2 |
Product Overview
S-phenyl 4-methylbenzenecarbothioate (CAS 3128-42-5), with molecular formula C14H12OS and molecular weight 228.06 g/mol. IUPAC: S-phenyl 4-methylbenzenecarbothioate.
Chemical Property Profile of S-phenyl 4-methylbenzenecarbothioate
Property Insights of S-phenyl 4-methylbenzenecarbothioate
The XLogP value of 3.92752 indicates that S-phenyl 4-methylbenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-phenyl 4-methylbenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl 4-methylbenzenecarbothioate 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 S-phenyl 4-methylbenzenecarbothioate?
The CAS number of S-phenyl 4-methylbenzenecarbothioate is 3128-42-5.
What is the molecular formula of S-phenyl 4-methylbenzenecarbothioate?
The molecular formula of S-phenyl 4-methylbenzenecarbothioate is C14H12OS.
What is the molecular weight of S-phenyl 4-methylbenzenecarbothioate?
The molecular weight of S-phenyl 4-methylbenzenecarbothioate is 228.06 g/mol.
Where can I buy S-phenyl 4-methylbenzenecarbothioate?
You can request a quote for S-phenyl 4-methylbenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 4-methylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 4-methylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.