(Methanesulfonyl)(phenylsulfanyl)methanethione
TL;DR: (Methanesulfonyl)(phenylsulfanyl)methanethione (CAS 53271-53-7) is a chemical compound with molecular formula C8H8O2S3 and molecular weight 231.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl methylsulfonylmethanedithioate
Also Known As: phenyl methylsulfonylmethanedithioate, (Methanesulfonyl)(phenylsulfanyl)methanethione
| Molecular Formula | C8H8O2S3 |
|---|---|
| Molecular Weight | 231.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.96864 |
| Heavy Atoms | 13 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 53271-53-7 |
|---|---|
| SMILES | CS(=O)(=O)C(=S)SC1=CC=CC=C1 |
| InChIKey | DSLVKDAKSATUJC-UHFFFAOYSA-N |
Product Overview
(Methanesulfonyl)(phenylsulfanyl)methanethione (CAS 53271-53-7), with molecular formula C8H8O2S3 and molecular weight 231.97 g/mol. IUPAC: phenyl methylsulfonylmethanedithioate.
Chemical Property Profile of (Methanesulfonyl)(phenylsulfanyl)methanethione
Property Insights of (Methanesulfonyl)(phenylsulfanyl)methanethione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methanesulfonyl)(phenylsulfanyl)methanethione. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Methanesulfonyl)(phenylsulfanyl)methanethione. Following Lipinski's Rule of Five, (Methanesulfonyl)(phenylsulfanyl)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 (Methanesulfonyl)(phenylsulfanyl)methanethione?
The CAS number of (Methanesulfonyl)(phenylsulfanyl)methanethione is 53271-53-7.
What is the molecular formula of (Methanesulfonyl)(phenylsulfanyl)methanethione?
The molecular formula of (Methanesulfonyl)(phenylsulfanyl)methanethione is C8H8O2S3.
What is the molecular weight of (Methanesulfonyl)(phenylsulfanyl)methanethione?
The molecular weight of (Methanesulfonyl)(phenylsulfanyl)methanethione is 231.97 g/mol.
Where can I buy (Methanesulfonyl)(phenylsulfanyl)methanethione?
You can request a quote for (Methanesulfonyl)(phenylsulfanyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methanesulfonyl)(phenylsulfanyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (Methanesulfonyl)(phenylsulfanyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.