But-2-enoyl isothiocyanate
TL;DR: But-2-enoyl isothiocyanate (CAS 32786-19-9) is a chemical compound with molecular formula C5H5NOS and molecular weight 127.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enoyl isothiocyanate
Also Known As: but-2-enoyl isothiocyanate, Crotonyl isothiocyanate, 2-Butenoyl isothiocyanate, 2-Butenoylthiocyanat, Crotonylisothiocyanate
| Molecular Formula | C5H5NOS |
|---|---|
| Molecular Weight | 127.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.009186 |
| Heavy Atoms | 8 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 32786-19-9 |
|---|---|
| SMILES | CC=CC(=O)N=C=S |
| InChIKey | GGYYXENTGJDZTN-UHFFFAOYSA-N |
Product Overview
But-2-enoyl isothiocyanate (CAS 32786-19-9), with molecular formula C5H5NOS and molecular weight 127.01 g/mol. IUPAC: but-2-enoyl isothiocyanate.
Chemical Property Profile of But-2-enoyl isothiocyanate
Property Insights of But-2-enoyl isothiocyanate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enoyl isothiocyanate. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enoyl isothiocyanate. Following Lipinski's Rule of Five, But-2-enoyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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 But-2-enoyl isothiocyanate?
The CAS number of But-2-enoyl isothiocyanate is 32786-19-9.
What is the molecular formula of But-2-enoyl isothiocyanate?
The molecular formula of But-2-enoyl isothiocyanate is C5H5NOS.
What is the molecular weight of But-2-enoyl isothiocyanate?
The molecular weight of But-2-enoyl isothiocyanate is 127.01 g/mol.
Where can I buy But-2-enoyl isothiocyanate?
You can request a quote for But-2-enoyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enoyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for But-2-enoyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.