1,3-Bis(isopropoxycarbothioyl)trisulfane
TL;DR: 1,3-Bis(isopropoxycarbothioyl)trisulfane (CAS 52584-27-7) is a chemical compound with molecular formula C8H14O2S5 and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-propan-2-yl (propan-2-yloxycarbothioyltrisulfanyl)methanethioate
Also Known As: Diisopropyl xanthogen trisulfide, 1,3-Bis(isopropoxycarbothioyl)trisulfane, Bis(isopropoxythiocarbonyl) trisulfide, O,O-diisopropyl trisulfane-1,3-bis(carbothioate), O-propan-2-yl (propan-2-yloxycarbothioyltrisulfanyl)methanethioate
| Molecular Formula | C8H14O2S5 |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.95975 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 52584-27-7 |
|---|---|
| SMILES | CC(C)OC(=S)SSSC(=S)OC(C)C |
| InChIKey | TXLZTPCDRBQTJT-UHFFFAOYSA-N |
Product Overview
1,3-Bis(isopropoxycarbothioyl)trisulfane (CAS 52584-27-7), with molecular formula C8H14O2S5 and molecular weight 301.96 g/mol. IUPAC: O-propan-2-yl (propan-2-yloxycarbothioyltrisulfanyl)methanethioate.
Chemical Property Profile of 1,3-Bis(isopropoxycarbothioyl)trisulfane
Property Insights of 1,3-Bis(isopropoxycarbothioyl)trisulfane
The XLogP value of 4.5 indicates that 1,3-Bis(isopropoxycarbothioyl)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(isopropoxycarbothioyl)trisulfane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(isopropoxycarbothioyl)trisulfane has 0 hydrogen bond donor(s) and 7 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 1,3-Bis(isopropoxycarbothioyl)trisulfane?
The CAS number of 1,3-Bis(isopropoxycarbothioyl)trisulfane is 52584-27-7.
What is the molecular formula of 1,3-Bis(isopropoxycarbothioyl)trisulfane?
The molecular formula of 1,3-Bis(isopropoxycarbothioyl)trisulfane is C8H14O2S5.
What is the molecular weight of 1,3-Bis(isopropoxycarbothioyl)trisulfane?
The molecular weight of 1,3-Bis(isopropoxycarbothioyl)trisulfane is 301.96 g/mol.
Where can I buy 1,3-Bis(isopropoxycarbothioyl)trisulfane?
You can request a quote for 1,3-Bis(isopropoxycarbothioyl)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(isopropoxycarbothioyl)trisulfane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(isopropoxycarbothioyl)trisulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.