3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
TL;DR: 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide (CAS 329692-57-1) 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.
3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
Also Known As: 3-(4-bromo-2-thienyl)-2-cyano-2-propenethioamide, 3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
| Molecular Formula | C8H5BrN2S2 |
|---|---|
| Molecular Weight | 271.91 g/mol |
| LogP | 2.70368 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.90775 |
| Heavy Atoms | 13 |
| Complexity | 400.52167 |
Chemical Identifiers
| CAS Number | 329692-57-1 |
|---|---|
| SMILES | C1=C(SC=C1Br)C=C(C#N)C(=S)N |
Product Overview
3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide (CAS 329692-57-1), with molecular formula C8H5BrN2S2 and molecular weight 271.91 g/mol. IUPAC: 3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
Property Insights of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
The XLogP value of 2.70368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide. With a topological polar surface area (TPSA) of 49.81 Ų, 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromothiophen-2-yl)-2-cyanoprop-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 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide?
The CAS number of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide is 329692-57-1.
What is the molecular formula of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide?
The molecular formula of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide is C8H5BrN2S2.
What is the molecular weight of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide?
The molecular weight of 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide is 271.91 g/mol.
Where can I buy 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide?
You can request a quote for 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromothiophen-2-yl)-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.