硫杂环丙烷丙腈
TL;DR: 硫杂环丙烷丙腈 (CAS 54096-45-6) is a chemical compound with molecular formula C5H7NS and molecular weight 113.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫杂环丙烷丙腈
3-(thiiran-2-yl)propanenitrile
Also Known As: Thiiranepropanenitrile, 3-(thiiran-2-yl)propanenitrile, 1-Cyano-3,4-epithiobutane, 4,5-Epithiovaleronitrile, CYANO-3,4-EPITHIOBUTANE
| Molecular Formula | C5H7NS |
|---|---|
| Molecular Weight | 113.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.02992 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 54096-45-6 |
|---|---|
| SMILES | C1C(S1)CCC#N |
| InChIKey | ZAGXORSINWAUSP-UHFFFAOYSA-N |
Product Overview
硫杂环丙烷丙腈 (CAS 54096-45-6), with molecular formula C5H7NS and molecular weight 113.03 g/mol. IUPAC: 3-(thiiran-2-yl)propanenitrile.
Chemical Property Profile of 硫杂环丙烷丙腈
Property Insights of 硫杂环丙烷丙腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫杂环丙烷丙腈. With a topological polar surface area (TPSA) of 49.1 Ų, 硫杂环丙烷丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫杂环丙烷丙腈 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 硫杂环丙烷丙腈?
The CAS number of 硫杂环丙烷丙腈 is 54096-45-6.
What is the molecular formula of 硫杂环丙烷丙腈?
The molecular formula of 硫杂环丙烷丙腈 is C5H7NS.
What is the molecular weight of 硫杂环丙烷丙腈?
The molecular weight of 硫杂环丙烷丙腈 is 113.03 g/mol.
Where can I buy 硫杂环丙烷丙腈?
You can request a quote for 硫杂环丙烷丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫杂环丙烷丙腈?
Yes, KEHONG BIO provides custom synthesis services for 硫杂环丙烷丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.