(Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
TL;DR: (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione (CAS 53271-59-3) is a chemical compound with molecular formula C10H12O2S3 and molecular weight 260.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4-methylphenyl)sulfonylmethanedithioate
Also Known As: ethyl tosylmethanedithioate, Methanedithioic acid, ethyl ester, ethyl (4-methylphenyl)sulfonylmethanedithioate, (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
| Molecular Formula | C10H12O2S3 |
|---|---|
| Molecular Weight | 260.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.99994 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 53271-59-3 |
|---|---|
| SMILES | CCSC(=S)S(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | WCQBOPUMMCAMJD-UHFFFAOYSA-N |
Product Overview
(Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione (CAS 53271-59-3), with molecular formula C10H12O2S3 and molecular weight 260.00 g/mol. IUPAC: ethyl (4-methylphenyl)sulfonylmethanedithioate.
Chemical Property Profile of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
Property Insights of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione
The XLogP value of 3.2 indicates that (Ethylsulfanyl)(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 (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione. Following Lipinski's Rule of Five, (Ethylsulfanyl)(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 (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The CAS number of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is 53271-59-3.
What is the molecular formula of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The molecular formula of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is C10H12O2S3.
What is the molecular weight of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
The molecular weight of (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione is 260.00 g/mol.
Where can I buy (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
You can request a quote for (Ethylsulfanyl)(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 (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (Ethylsulfanyl)(4-methylbenzene-1-sulfonyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.