O-n-Butyl-S-benzyl-xanthate
TL;DR: O-n-Butyl-S-benzyl-xanthate (CAS 5902-92-1) is a chemical compound with molecular formula C12H16OS2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butyl benzylsulfanylmethanethioate
Also Known As: O-n-Butyl-S-benzyl-xanthate, O-n-Butyl benzylxanthate, Thompson-hayward T-H103-M, O-butyl benzylsulfanylmethanethioate, TH 103-M
| Molecular Formula | C12H16OS2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.06425 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 5902-92-1 |
|---|---|
| SMILES | CCCCOC(=S)SCC1=CC=CC=C1 |
| InChIKey | XJXMGBCUWITJAQ-UHFFFAOYSA-N |
Product Overview
O-n-Butyl-S-benzyl-xanthate (CAS 5902-92-1), with molecular formula C12H16OS2 and molecular weight 240.06 g/mol. IUPAC: O-butyl benzylsulfanylmethanethioate.
Chemical Property Profile of O-n-Butyl-S-benzyl-xanthate
Property Insights of O-n-Butyl-S-benzyl-xanthate
The XLogP value of 4.4 indicates that O-n-Butyl-S-benzyl-xanthate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-n-Butyl-S-benzyl-xanthate. Following Lipinski's Rule of Five, O-n-Butyl-S-benzyl-xanthate has 0 hydrogen bond donor(s) and 3 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 O-n-Butyl-S-benzyl-xanthate?
The CAS number of O-n-Butyl-S-benzyl-xanthate is 5902-92-1.
What is the molecular formula of O-n-Butyl-S-benzyl-xanthate?
The molecular formula of O-n-Butyl-S-benzyl-xanthate is C12H16OS2.
What is the molecular weight of O-n-Butyl-S-benzyl-xanthate?
The molecular weight of O-n-Butyl-S-benzyl-xanthate is 240.06 g/mol.
Where can I buy O-n-Butyl-S-benzyl-xanthate?
You can request a quote for O-n-Butyl-S-benzyl-xanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-n-Butyl-S-benzyl-xanthate?
Yes, KEHONG BIO provides custom synthesis services for O-n-Butyl-S-benzyl-xanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.