(E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid
TL;DR: (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid (CAS 67544-10-9) is a chemical compound with molecular formula C10H11BrN2S and molecular weight 269.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-prop-2-enylthiourea
Also Known As: 1-Allyl-3-(4-bromo-phenyl)-thiourea, 1-Allyl-3-(4-bromophenyl)thiourea, N-allyl-N'-(4-bromophenyl)thiourea, 1-(4-bromophenyl)-3-prop-2-enylthiourea, (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid
| Molecular Formula | C10H11BrN2S |
|---|---|
| Molecular Weight | 269.98 g/mol |
| LogP | 2.9215 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.98264 |
| Heavy Atoms | 14 |
| Complexity | 321.3988 |
Chemical Identifiers
| CAS Number | 67544-10-9 |
|---|---|
| SMILES | C=CCNC(=S)NC1=CC=C(C=C1)Br |
Product Overview
(E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid (CAS 67544-10-9), with molecular formula C10H11BrN2S and molecular weight 269.98 g/mol. IUPAC: 1-(4-bromophenyl)-3-prop-2-enylthiourea.
Chemical Property Profile of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid
Property Insights of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid
The XLogP value of 2.9215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid. With a topological polar surface area (TPSA) of 24.06 Ų, (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid has 2 hydrogen bond donor(s) and 1 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 (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid?
The CAS number of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid is 67544-10-9.
What is the molecular formula of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid?
The molecular formula of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid is C10H11BrN2S.
What is the molecular weight of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid?
The molecular weight of (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid is 269.98 g/mol.
Where can I buy (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid?
You can request a quote for (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-allyl-N'-(4-bromophenyl)carbamimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.