(Butane-1-sulfonyl)methyl thiocyanate
TL;DR: (Butane-1-sulfonyl)methyl thiocyanate (CAS 27617-57-8) is a chemical compound with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butylsulfonylmethyl thiocyanate
Also Known As: butylsulfonylmethyl thiocyanate, (Butane-1-sulfonyl)methyl thiocyanate, 1-(thiocyanatomethylsulfonyl)butane
| Molecular Formula | C6H11NO2S2 |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.02312 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 27617-57-8 |
|---|---|
| SMILES | CCCCS(=O)(=O)CSC#N |
| InChIKey | YWRSHMAPBSDRGE-UHFFFAOYSA-N |
Product Overview
(Butane-1-sulfonyl)methyl thiocyanate (CAS 27617-57-8), with molecular formula C6H11NO2S2 and molecular weight 193.02 g/mol. IUPAC: butylsulfonylmethyl thiocyanate.
Chemical Property Profile of (Butane-1-sulfonyl)methyl thiocyanate
Property Insights of (Butane-1-sulfonyl)methyl thiocyanate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Butane-1-sulfonyl)methyl thiocyanate. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Butane-1-sulfonyl)methyl thiocyanate. Following Lipinski's Rule of Five, (Butane-1-sulfonyl)methyl thiocyanate 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 (Butane-1-sulfonyl)methyl thiocyanate?
The CAS number of (Butane-1-sulfonyl)methyl thiocyanate is 27617-57-8.
What is the molecular formula of (Butane-1-sulfonyl)methyl thiocyanate?
The molecular formula of (Butane-1-sulfonyl)methyl thiocyanate is C6H11NO2S2.
What is the molecular weight of (Butane-1-sulfonyl)methyl thiocyanate?
The molecular weight of (Butane-1-sulfonyl)methyl thiocyanate is 193.02 g/mol.
Where can I buy (Butane-1-sulfonyl)methyl thiocyanate?
You can request a quote for (Butane-1-sulfonyl)methyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Butane-1-sulfonyl)methyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (Butane-1-sulfonyl)methyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.