1,3-Bis((pentyloxy)carbothioyl)trisulfane
TL;DR: 1,3-Bis((pentyloxy)carbothioyl)trisulfane (CAS 1851-75-8) is a chemical compound with molecular formula C12H22O2S5 and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-pentyl (pentoxycarbothioyltrisulfanyl)methanethioate
Also Known As: 1,3-Bis((pentyloxy)carbothioyl)trisulfane, O-pentyl (pentoxycarbothioyltrisulfanyl)methanethioate, Formic acid, trithiobis[thio-, O,O-dipentyl ester, O-pentyl(pentoxycarbothioyltrisulfanyl)methanethioate, O~1~,O~3~-Dipentyl trisulfane-1,3-dicarbothioate
| Molecular Formula | C12H22O2S5 |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 358.02234 |
| Heavy Atoms | 19 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 1851-75-8 |
|---|---|
| SMILES | CCCCCOC(=S)SSSC(=S)OCCCCC |
| InChIKey | VZEDYVSFXDUDLE-UHFFFAOYSA-N |
Product Overview
1,3-Bis((pentyloxy)carbothioyl)trisulfane (CAS 1851-75-8), with molecular formula C12H22O2S5 and molecular weight 358.02 g/mol. IUPAC: O-pentyl (pentoxycarbothioyltrisulfanyl)methanethioate.
Chemical Property Profile of 1,3-Bis((pentyloxy)carbothioyl)trisulfane
Property Insights of 1,3-Bis((pentyloxy)carbothioyl)trisulfane
The XLogP value of 6.5 indicates that 1,3-Bis((pentyloxy)carbothioyl)trisulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 1,3-Bis((pentyloxy)carbothioyl)trisulfane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis((pentyloxy)carbothioyl)trisulfane has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis((pentyloxy)carbothioyl)trisulfane?
The CAS number of 1,3-Bis((pentyloxy)carbothioyl)trisulfane is 1851-75-8.
What is the molecular formula of 1,3-Bis((pentyloxy)carbothioyl)trisulfane?
The molecular formula of 1,3-Bis((pentyloxy)carbothioyl)trisulfane is C12H22O2S5.
What is the molecular weight of 1,3-Bis((pentyloxy)carbothioyl)trisulfane?
The molecular weight of 1,3-Bis((pentyloxy)carbothioyl)trisulfane is 358.02 g/mol.
Where can I buy 1,3-Bis((pentyloxy)carbothioyl)trisulfane?
You can request a quote for 1,3-Bis((pentyloxy)carbothioyl)trisulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis((pentyloxy)carbothioyl)trisulfane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis((pentyloxy)carbothioyl)trisulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.