1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane
TL;DR: 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane (CAS 836682-32-7) is a chemical compound with molecular formula C6H11NOS2 and molecular weight 177.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-4-[(R)-methylsulfinyl]butane
Also Known As: L-Sulforaphane, (R)-sulforaphane, sulforaphane, (-)-Sulforaphane, R-sulforaphane
| Molecular Formula | C6H11NOS2 |
|---|---|
| Molecular Weight | 177.03 g/mol |
| LogP | 1.2479 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.02821 |
| Heavy Atoms | 10 |
| Complexity | 147.82681 |
Chemical Identifiers
| CAS Number | 836682-32-7 |
|---|---|
| SMILES | C[S@@](=O)CCCCN=C=S |
Product Overview
1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane (CAS 836682-32-7), with molecular formula C6H11NOS2 and molecular weight 177.03 g/mol. IUPAC: 1-isothiocyanato-4-[(R)-methylsulfinyl]butane.
Chemical Property Profile of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane
Property Insights of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane
The XLogP value of 1.2479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane has 0 hydrogen bond donor(s) and 3 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-Isothiocyanato-4-((R)-Methylsulfinyl)Butane?
The CAS number of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane is 836682-32-7.
What is the molecular formula of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane?
The molecular formula of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane is C6H11NOS2.
What is the molecular weight of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane?
The molecular weight of 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane is 177.03 g/mol.
Where can I buy 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane?
You can request a quote for 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isothiocyanato-4-((R)-Methylsulfinyl)Butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.