2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-
TL;DR: 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- (CAS 95639-00-2) is a chemical compound with molecular formula C10H7BrN2S and molecular weight 265.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-2-cyanoprop-2-enethioamide
Also Known As: 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide, 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-, (E)-
| Molecular Formula | C10H7BrN2S |
|---|---|
| Molecular Weight | 265.95 g/mol |
| LogP | 2.64218 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.95132 |
| Heavy Atoms | 14 |
| Complexity | 414.7433 |
Chemical Identifiers
| CAS Number | 95639-00-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=S)N)Br |
Product Overview
2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- (CAS 95639-00-2), with molecular formula C10H7BrN2S and molecular weight 265.95 g/mol. IUPAC: 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-
Property Insights of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-
The XLogP value of 2.64218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- 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-Propenethioamide, 3-(4-bromophenyl)-2-cyano-?
The CAS number of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- is 95639-00-2.
What is the molecular formula of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-?
The molecular formula of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- is C10H7BrN2S.
What is the molecular weight of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-?
The molecular weight of 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- is 265.95 g/mol.
Where can I buy 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-?
You can request a quote for 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.