Alyssin
TL;DR: Alyssin (CAS 167963-06-6) is a chemical compound with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-5-methylsulfinylpentane
Also Known As: ALYSSIN, Alyssin, (S)-, Alyssin, (R)-, R,S-alyssin, ALYSSIN SULFONE
| Molecular Formula | C7H13NOS2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.04385 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 167963-06-6 |
|---|---|
| SMILES | CS(=O)CCCCCN=C=S |
| InChIKey | IUUQPVQTAUKPPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alyssin (CAS 167963-06-6), with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol. IUPAC: 1-isothiocyanato-5-methylsulfinylpentane.
Chemical Property Profile of Alyssin
Property Insights of Alyssin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alyssin. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Alyssin. Following Lipinski's Rule of Five, Alyssin has 0 hydrogen bond donor(s) and 4 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 Alyssin?
The CAS number of Alyssin is 167963-06-6.
What is the molecular formula of Alyssin?
The molecular formula of Alyssin is C7H13NOS2.
What is the molecular weight of Alyssin?
The molecular weight of Alyssin is 191.04 g/mol.
Where can I buy Alyssin?
You can request a quote for Alyssin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alyssin?
Yes, KEHONG BIO provides custom synthesis services for Alyssin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.