(2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile
TL;DR: (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile (CAS 1663470-31-2) is a chemical compound with molecular formula C8H5BrN2S2 and molecular weight 271.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
Also Known As: (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile, (2E)-3-(5-Bromo-2-thienyl)-2-cyano-2-propenethioamide, (E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide, (2E)-3-(5-BROMOTHIOPHEN-2-YL)-2-CYANOPROP-2-ENETHIOAMIDE
| Molecular Formula | C8H5BrN2S2 |
|---|---|
| Molecular Weight | 271.91 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.90775 |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 1663470-31-2 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)/C=C(\C#N)/C(=S)N |
| InChIKey | FTABXKRCXDQGJP-HWKANZROSA-N |
Product Overview
(2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile (CAS 1663470-31-2), with molecular formula C8H5BrN2S2 and molecular weight 271.91 g/mol. IUPAC: (E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile
Property Insights of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile 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 (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile?
The CAS number of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile is 1663470-31-2.
What is the molecular formula of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile?
The molecular formula of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile is C8H5BrN2S2.
What is the molecular weight of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile?
The molecular weight of (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile is 271.91 g/mol.
Where can I buy (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile?
You can request a quote for (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.