1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea
TL;DR: 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea (CAS 321980-76-1) is a chemical compound with molecular formula C11H14N4OS and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(prop-2-enylcarbamothioylamino)urea
Also Known As: 1-phenyl-3-(prop-2-enylcarbamothioylamino)urea, (E)-N-allyl-N'-(phenylcarbamoyl)carbamohydrazonothioic acid, AB01317947-02, F0183-0040, N-Phenyl-2-[(2-propen-1-ylamino)thioxomethyl]hydrazinecarboxamide
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.3732 |
| Topological Polar Surface Area | 65.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 393.7177 |
Chemical Identifiers
| CAS Number | 321980-76-1 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=O)NC1=CC=CC=C1 |
Product Overview
1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea (CAS 321980-76-1), with molecular formula C11H14N4OS and molecular weight 250.09 g/mol. IUPAC: 1-phenyl-3-(prop-2-enylcarbamothioylamino)urea.
Chemical Property Profile of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea
Property Insights of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea
The XLogP value of 1.3732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea. The TPSA of 65.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea. Following Lipinski's Rule of Five, 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea has 4 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 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea?
The CAS number of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea is 321980-76-1.
What is the molecular formula of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea?
The molecular formula of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea is C11H14N4OS.
What is the molecular weight of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea?
The molecular weight of 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea is 250.09 g/mol.
Where can I buy 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea?
You can request a quote for 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(prop-2-enylcarbamothioylamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.