S1,S4-Dimethyl 1,4-butanedisulfonothioate
TL;DR: S1,S4-Dimethyl 1,4-butanedisulfonothioate (CAS 959577-30-1) is a chemical compound with molecular formula C6H14O4S4 and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(methylsulfanylsulfonyl)butane
Also Known As: 1,4-bis(methylsulfanylsulfonyl)butane, S1,S4-Dimethyl 1,4-butanedisulfonothioate, S~1~,S~4~-Dimethyl butane-1,4-disulfonothioate
| Molecular Formula | C6H14O4S4 |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 1.1522 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.9775 |
| Heavy Atoms | 14 |
| Complexity | 306.0278 |
Chemical Identifiers
| CAS Number | 959577-30-1 |
|---|---|
| SMILES | CSS(=O)(=O)CCCCS(=O)(=O)SC |
Product Overview
S1,S4-Dimethyl 1,4-butanedisulfonothioate (CAS 959577-30-1), with molecular formula C6H14O4S4 and molecular weight 277.98 g/mol. IUPAC: 1,4-bis(methylsulfanylsulfonyl)butane.
Chemical Property Profile of S1,S4-Dimethyl 1,4-butanedisulfonothioate
Property Insights of S1,S4-Dimethyl 1,4-butanedisulfonothioate
The XLogP value of 1.1522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S1,S4-Dimethyl 1,4-butanedisulfonothioate. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for S1,S4-Dimethyl 1,4-butanedisulfonothioate. Following Lipinski's Rule of Five, S1,S4-Dimethyl 1,4-butanedisulfonothioate has 0 hydrogen bond donor(s) and 6 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 S1,S4-Dimethyl 1,4-butanedisulfonothioate?
The CAS number of S1,S4-Dimethyl 1,4-butanedisulfonothioate is 959577-30-1.
What is the molecular formula of S1,S4-Dimethyl 1,4-butanedisulfonothioate?
The molecular formula of S1,S4-Dimethyl 1,4-butanedisulfonothioate is C6H14O4S4.
What is the molecular weight of S1,S4-Dimethyl 1,4-butanedisulfonothioate?
The molecular weight of S1,S4-Dimethyl 1,4-butanedisulfonothioate is 277.98 g/mol.
Where can I buy S1,S4-Dimethyl 1,4-butanedisulfonothioate?
You can request a quote for S1,S4-Dimethyl 1,4-butanedisulfonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S1,S4-Dimethyl 1,4-butanedisulfonothioate?
Yes, KEHONG BIO provides custom synthesis services for S1,S4-Dimethyl 1,4-butanedisulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.