1-Cyano-2-hydroxy-3,4-epithiobutane
TL;DR: 1-Cyano-2-hydroxy-3,4-epithiobutane (CAS 32151-13-6) is a chemical compound with molecular formula C5H7NOS and molecular weight 129.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-(thiiran-2-yl)propanenitrile
Also Known As: Episulfide isomef A, Episulfide isomer 2, 1-Cyano-2-hydroxy-3,4-epithiobutane, Thiiranepropanenitrile, beta-hydroxy-, 1-Cyano-2-hydroxy-3,4-epithiobutan
| Molecular Formula | C5H7NOS |
|---|---|
| Molecular Weight | 129.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.02484 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 32151-13-6 |
|---|---|
| SMILES | C1C(S1)C(CC#N)O |
| InChIKey | YHHMEZJFUCZIOV-UHFFFAOYSA-N |
Product Overview
1-Cyano-2-hydroxy-3,4-epithiobutane (CAS 32151-13-6), with molecular formula C5H7NOS and molecular weight 129.02 g/mol. IUPAC: 3-hydroxy-3-(thiiran-2-yl)propanenitrile.
Chemical Property Profile of 1-Cyano-2-hydroxy-3,4-epithiobutane
Property Insights of 1-Cyano-2-hydroxy-3,4-epithiobutane
The XLogP value of -0.2 indicates that 1-Cyano-2-hydroxy-3,4-epithiobutane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyano-2-hydroxy-3,4-epithiobutane. Following Lipinski's Rule of Five, 1-Cyano-2-hydroxy-3,4-epithiobutane has 1 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-Cyano-2-hydroxy-3,4-epithiobutane?
The CAS number of 1-Cyano-2-hydroxy-3,4-epithiobutane is 32151-13-6.
What is the molecular formula of 1-Cyano-2-hydroxy-3,4-epithiobutane?
The molecular formula of 1-Cyano-2-hydroxy-3,4-epithiobutane is C5H7NOS.
What is the molecular weight of 1-Cyano-2-hydroxy-3,4-epithiobutane?
The molecular weight of 1-Cyano-2-hydroxy-3,4-epithiobutane is 129.02 g/mol.
Where can I buy 1-Cyano-2-hydroxy-3,4-epithiobutane?
You can request a quote for 1-Cyano-2-hydroxy-3,4-epithiobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2-hydroxy-3,4-epithiobutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2-hydroxy-3,4-epithiobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.