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 277.9775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C6H14O4S4 |
| Molecular Weight | 277.9775 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.9775 Da |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
| SMILES | CSS(=O)(=O)CCCCS(=O)(=O)SC |
| InChIKey | DIACXRVKANXHSM-UHFFFAOYSA-N |
Product Description
Applications: S1,S4-Dimethyl 1,4-butanedisulfonothioate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, S1,S4-Dimethyl 1,4-butanedisulfonothioate (CAS 959577-30-1) has the molecular formula C6H14O4S4 and a molecular weight of 277.98 g/mol. Synonyms include 1,4-bis(methylsulfanylsulfonyl)butane and S1,S4-Dimethyl 1,4-butanedisulfonothioate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of S1,S4-Dimethyl 1,4-butanedisulfonothioate
Property Insights of S1,S4-Dimethyl 1,4-butanedisulfonothioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S1,S4-Dimethyl 1,4-butanedisulfonothioate. The TPSA of 136.0 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
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 277.9775 g/mol.
What are the applications of S1,S4-Dimethyl 1,4-butanedisulfonothioate?
S1,S4-Dimethyl 1,4-butanedisulfonothioate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy S1,S4-Dimethyl 1,4-butanedisulfonothioate?
You can request a quote for S1,S4-Dimethyl 1,4-butanedisulfonothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S1,S4-Dimethyl 1,4-butanedisulfonothioate?
Yes, CoreyChem 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.