1,2,4,5,7-Pentathiocane
TL;DR: 1,2,4,5,7-Pentathiocane (CAS 81531-39-7) is a chemical compound with molecular formula C3H6S5 and molecular weight 201.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5,7-pentathiocane
Also Known As: 1,2,4,5,7-Pentathiocane, 1,2,4,5,7-Pentathiaoctane, 1,2,4,5,7-Pentathiacyclooctane, RefChem:71453
| Molecular Formula | C3H6S5 |
|---|---|
| Molecular Weight | 201.91 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.9073 |
| Heavy Atoms | 8 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 81531-39-7 |
|---|---|
| SMILES | C1SCSSCSS1 |
| InChIKey | QFHGOPGLIADNQA-UHFFFAOYSA-N |
Product Overview
1,2,4,5,7-Pentathiocane (CAS 81531-39-7), with molecular formula C3H6S5 and molecular weight 201.91 g/mol. IUPAC: 1,2,4,5,7-pentathiocane.
Chemical Property Profile of 1,2,4,5,7-Pentathiocane
Property Insights of 1,2,4,5,7-Pentathiocane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5,7-Pentathiocane. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5,7-Pentathiocane. Following Lipinski's Rule of Five, 1,2,4,5,7-Pentathiocane has 0 hydrogen bond donor(s) and 5 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 1,2,4,5,7-Pentathiocane?
The CAS number of 1,2,4,5,7-Pentathiocane is 81531-39-7.
What is the molecular formula of 1,2,4,5,7-Pentathiocane?
The molecular formula of 1,2,4,5,7-Pentathiocane is C3H6S5.
What is the molecular weight of 1,2,4,5,7-Pentathiocane?
The molecular weight of 1,2,4,5,7-Pentathiocane is 201.91 g/mol.
Where can I buy 1,2,4,5,7-Pentathiocane?
You can request a quote for 1,2,4,5,7-Pentathiocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5,7-Pentathiocane?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5,7-Pentathiocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.