O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate
TL;DR: O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate (CAS 54503-00-3) is a chemical compound with molecular formula C10H18O2S4 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate
Also Known As: Disec-butylxanthogen disulfide, bis-sec-butoxythiocarbonyl-disulfane, O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate, 2,2'-[Disulfanediylbis(carbonothioyloxy)]dibutane, 1,1 -Dithiobis(thioformic acid O-sec-butyl) ester
| Molecular Formula | C10H18O2S4 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.01895 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 54503-00-3 |
|---|---|
| SMILES | CCC(C)OC(=S)SSC(=S)OC(C)CC |
| InChIKey | CNJZACUYPNOBBL-UHFFFAOYSA-N |
Product Overview
O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate (CAS 54503-00-3), with molecular formula C10H18O2S4 and molecular weight 298.02 g/mol. IUPAC: O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate.
Chemical Property Profile of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate
Property Insights of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate
The XLogP value of 5.1 indicates that O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate. Following Lipinski's Rule of Five, O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate?
The CAS number of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate is 54503-00-3.
What is the molecular formula of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate?
The molecular formula of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate is C10H18O2S4.
What is the molecular weight of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate?
The molecular weight of O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate is 298.02 g/mol.
Where can I buy O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate?
You can request a quote for O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.