1-Cyano-2,3-epithiopropane
TL;DR: 1-Cyano-2,3-epithiopropane (CAS 76786-80-6) is a chemical compound with molecular formula C4H5NS and molecular weight 99.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiiran-2-yl)acetonitrile
Also Known As: Thiiraneacetonitrile, 3,4-Epithiobutanenitrile, 2-(thiiran-2-yl)acetonitrile, 1-Cyano-2,3-epithiopropane, Thiirane-2-acetonitrile
| Molecular Formula | C4H5NS |
|---|---|
| Molecular Weight | 99.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.01427 |
| Heavy Atoms | 6 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 76786-80-6 |
|---|---|
| SMILES | C1C(S1)CC#N |
| InChIKey | BKIZJNMVTRYGSW-UHFFFAOYSA-N |
Product Overview
1-Cyano-2,3-epithiopropane (CAS 76786-80-6), with molecular formula C4H5NS and molecular weight 99.01 g/mol. IUPAC: 2-(thiiran-2-yl)acetonitrile.
Chemical Property Profile of 1-Cyano-2,3-epithiopropane
Property Insights of 1-Cyano-2,3-epithiopropane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-2,3-epithiopropane. With a topological polar surface area (TPSA) of 49.1 Ų, 1-Cyano-2,3-epithiopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-2,3-epithiopropane 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 1-Cyano-2,3-epithiopropane?
The CAS number of 1-Cyano-2,3-epithiopropane is 76786-80-6.
What is the molecular formula of 1-Cyano-2,3-epithiopropane?
The molecular formula of 1-Cyano-2,3-epithiopropane is C4H5NS.
What is the molecular weight of 1-Cyano-2,3-epithiopropane?
The molecular weight of 1-Cyano-2,3-epithiopropane is 99.01 g/mol.
Where can I buy 1-Cyano-2,3-epithiopropane?
You can request a quote for 1-Cyano-2,3-epithiopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-2,3-epithiopropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-2,3-epithiopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.