Di-iso-butyl thiolophosphate
TL;DR: Di-iso-butyl thiolophosphate (CAS 20822-30-4) is a chemical compound with molecular formula C9H21O3PS and molecular weight 240.09491 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[butoxy(methylsulfanyl)phosphoryl]oxybutane
Also Known As: Di-iso-butyl thiolophosphate, MixCom6_002555, dibutyl (methylsulfanyl)phosphonate, O,O-dibutyl S-methyl phosphorothioate, BIM-0047351.P001
Technical Specifications
| Molecular Formula | C9H21O3PS |
| Molecular Weight | 240.09491 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.09491 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | CCCCOP(=O)(OCCCC)SC |
| InChIKey | CYPFULFQUZPOQG-UHFFFAOYSA-N |
Product Description
Applications: Di-iso-butyl thiolophosphate 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).
Di-iso-butyl thiolophosphate is a fine chemical identified by CAS number 20822-30-4 and the molecular formula C9H21O3PS and a molecular weight of 240.09 g/mol. Synonyms include Di-iso-butyl thiolophosphate and CBMicro_047611.
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 Di-iso-butyl thiolophosphate
Property Insights of Di-iso-butyl thiolophosphate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-iso-butyl thiolophosphate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-iso-butyl thiolophosphate. Following Lipinski's Rule of Five, Di-iso-butyl thiolophosphate 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
What is the CAS number of Di-iso-butyl thiolophosphate?
The CAS number of Di-iso-butyl thiolophosphate is 20822-30-4.
What is the molecular formula of Di-iso-butyl thiolophosphate?
The molecular formula of Di-iso-butyl thiolophosphate is C9H21O3PS.
What is the molecular weight of Di-iso-butyl thiolophosphate?
The molecular weight of Di-iso-butyl thiolophosphate is 240.09491 g/mol.
What are the applications of Di-iso-butyl thiolophosphate?
Di-iso-butyl thiolophosphate 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,...
Where can I buy Di-iso-butyl thiolophosphate?
You can request a quote for Di-iso-butyl thiolophosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Di-iso-butyl thiolophosphate?
Yes, CoreyChem provides custom synthesis services for Di-iso-butyl thiolophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.