Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-
TL;DR: Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- (CAS 5463-26-3) 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.
(3R)-3-hydroxy-3-[(2S)-thiiran-2-yl]propanenitrile
Also Known As: threo-4,5-Epithio-3-hydroxyvaleronitrile, Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-, threo-1-Cyano-2-hydroxy-3,4-epithiobutane, (2S)-1-Cyano-2-hydroxy-3,4-epithiobutane, Valeronitrile, 4,5-epithio-3-hydroxy-, threo-
| 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 | 5463-26-3 |
|---|---|
| SMILES | C1[C@@H](S1)[C@@H](CC#N)O |
| InChIKey | YHHMEZJFUCZIOV-RFZPGFLSSA-N |
Product Overview
Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- (CAS 5463-26-3), with molecular formula C5H7NOS and molecular weight 129.02 g/mol. IUPAC: (3R)-3-hydroxy-3-[(2S)-thiiran-2-yl]propanenitrile.
Chemical Property Profile of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-
Property Insights of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-
The XLogP value of -0.2 indicates that Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- 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 Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-. Following Lipinski's Rule of Five, Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- 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 Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-?
The CAS number of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- is 5463-26-3.
What is the molecular formula of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-?
The molecular formula of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- is C5H7NOS.
What is the molecular weight of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-?
The molecular weight of Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- is 129.02 g/mol.
Where can I buy Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-?
You can request a quote for Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)-?
Yes, KEHONG BIO provides custom synthesis services for Thiiranepropanenitrile, beta-hydroxy-, (R*,S*)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.