(Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
TL;DR: (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione (CAS 73505-22-3) is a chemical compound with molecular formula C15H14O2S3 and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (4-methylphenyl)sulfonylmethanedithioate
Also Known As: benzyl (4-methylphenyl)sulfonylmethanedithioate, (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione, benzylsulfanyl-(4-methylphenyl)sulfonyl-methanethione
| Molecular Formula | C15H14O2S3 |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0156 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 73505-22-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=S)SCC2=CC=CC=C2 |
| InChIKey | PXKCUWIZWQKYHA-UHFFFAOYSA-N |
Product Overview
(Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione (CAS 73505-22-3), with molecular formula C15H14O2S3 and molecular weight 322.02 g/mol. IUPAC: benzyl (4-methylphenyl)sulfonylmethanedithioate.
Chemical Property Profile of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
Property Insights of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
The XLogP value of 4.3 indicates that (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione. Following Lipinski's Rule of Five, (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione has 0 hydrogen bond donor(s) and 4 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 (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The CAS number of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is 73505-22-3.
What is the molecular formula of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The molecular formula of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is C15H14O2S3.
What is the molecular weight of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The molecular weight of (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is 322.02 g/mol.
Where can I buy (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
You can request a quote for (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (Benzylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.