2-Cyano-3-methoxybut-2-enethioamide
TL;DR: 2-Cyano-3-methoxybut-2-enethioamide (CAS 89532-50-3) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-methoxybut-2-enethioamide
Also Known As: 2-cyano-3-methoxybut-2-enethioamide, (Z)-2-cyano-3-methoxybut-2-enethioamide
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.71648 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 214.27792 |
Chemical Identifiers
| CAS Number | 89532-50-3 |
|---|---|
| SMILES | CC(=C(C#N)C(=S)N)OC |
Product Overview
2-Cyano-3-methoxybut-2-enethioamide (CAS 89532-50-3), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 2-cyano-3-methoxybut-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-methoxybut-2-enethioamide
Property Insights of 2-Cyano-3-methoxybut-2-enethioamide
The XLogP value of 0.71648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-methoxybut-2-enethioamide. With a topological polar surface area (TPSA) of 59.04 Ų, 2-Cyano-3-methoxybut-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-3-methoxybut-2-enethioamide 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 2-Cyano-3-methoxybut-2-enethioamide?
The CAS number of 2-Cyano-3-methoxybut-2-enethioamide is 89532-50-3.
What is the molecular formula of 2-Cyano-3-methoxybut-2-enethioamide?
The molecular formula of 2-Cyano-3-methoxybut-2-enethioamide is C6H8N2OS.
What is the molecular weight of 2-Cyano-3-methoxybut-2-enethioamide?
The molecular weight of 2-Cyano-3-methoxybut-2-enethioamide is 156.04 g/mol.
Where can I buy 2-Cyano-3-methoxybut-2-enethioamide?
You can request a quote for 2-Cyano-3-methoxybut-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-methoxybut-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-methoxybut-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.