2-Cyano-3-phenyl-2-propenethioamide
TL;DR: 2-Cyano-3-phenyl-2-propenethioamide (CAS 68029-52-7) is a chemical compound with molecular formula C10H8N2S and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-phenylprop-2-enethioamide
Also Known As: alpha-Cyanocinnamthioamide, 2-cyano-3-phenyl-2-propenethioamide, 2-cyano-3-phenyl-2-propenthioamide, (E)-2-cyano-3-phenylprop-2-enethioamide, (2E)-2-cyano-3-phenylprop-2-enethioamide
| Molecular Formula | C10H8N2S |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.87968 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.04082 |
| Heavy Atoms | 13 |
| Complexity | 373.66125 |
Chemical Identifiers
| CAS Number | 68029-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C(=S)N |
Product Overview
2-Cyano-3-phenyl-2-propenethioamide (CAS 68029-52-7), with molecular formula C10H8N2S and molecular weight 188.04 g/mol. IUPAC: (E)-2-cyano-3-phenylprop-2-enethioamide.
Chemical Property Profile of 2-Cyano-3-phenyl-2-propenethioamide
Property Insights of 2-Cyano-3-phenyl-2-propenethioamide
The XLogP value of 1.87968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-phenyl-2-propenethioamide. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Cyano-3-phenyl-2-propenethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-3-phenyl-2-propenethioamide has 1 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 2-Cyano-3-phenyl-2-propenethioamide?
The CAS number of 2-Cyano-3-phenyl-2-propenethioamide is 68029-52-7.
What is the molecular formula of 2-Cyano-3-phenyl-2-propenethioamide?
The molecular formula of 2-Cyano-3-phenyl-2-propenethioamide is C10H8N2S.
What is the molecular weight of 2-Cyano-3-phenyl-2-propenethioamide?
The molecular weight of 2-Cyano-3-phenyl-2-propenethioamide is 188.04 g/mol.
Where can I buy 2-Cyano-3-phenyl-2-propenethioamide?
You can request a quote for 2-Cyano-3-phenyl-2-propenethioamide 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-phenyl-2-propenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-phenyl-2-propenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.