Pentamethylene bismethanethiosulfonate
TL;DR: Pentamethylene bismethanethiosulfonate (CAS 56-00-8) is a chemical compound with molecular formula C7H16O4S4 and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-bis(methylsulfonylsulfanyl)pentane
Also Known As: Preparation 335, Dimethanesulfonylthiopentane, Pentamethylene bismethanethiosulfonate, 1,5-bis(methylsulfonylsulfanyl)pentane, 1,5-PENTANEDIYL BISMETHANETHIOSULFONATE
| Molecular Formula | C7H16O4S4 |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.99313 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 56-00-8 |
|---|---|
| SMILES | CS(=O)(=O)SCCCCCSS(=O)(=O)C |
| InChIKey | PFGFBHYQVVHELE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethylene bismethanethiosulfonate (CAS 56-00-8), with molecular formula C7H16O4S4 and molecular weight 291.99 g/mol. IUPAC: 1,5-bis(methylsulfonylsulfanyl)pentane.
Chemical Property Profile of Pentamethylene bismethanethiosulfonate
Property Insights of Pentamethylene bismethanethiosulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamethylene bismethanethiosulfonate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamethylene bismethanethiosulfonate. Following Lipinski's Rule of Five, Pentamethylene bismethanethiosulfonate has 0 hydrogen bond donor(s) and 6 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 Pentamethylene bismethanethiosulfonate?
The CAS number of Pentamethylene bismethanethiosulfonate is 56-00-8.
What is the molecular formula of Pentamethylene bismethanethiosulfonate?
The molecular formula of Pentamethylene bismethanethiosulfonate is C7H16O4S4.
What is the molecular weight of Pentamethylene bismethanethiosulfonate?
The molecular weight of Pentamethylene bismethanethiosulfonate is 291.99 g/mol.
Where can I buy Pentamethylene bismethanethiosulfonate?
You can request a quote for Pentamethylene bismethanethiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylene bismethanethiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylene bismethanethiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.