Phenylpropenoyl thiosemicarbazide
TL;DR: Phenylpropenoyl thiosemicarbazide (CAS 58064-68-9) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenylprop-2-enoylamino)thiourea
Also Known As: phenylpropenoyl thiosemicarbazide, 2-cinnamoylhydrazinecarbothioamide, (3-phenylprop-2-enoylamino)thiourea
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 0.5642 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 375.5137 |
Chemical Identifiers
| CAS Number | 58064-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)NNC(=S)N |
Product Overview
Phenylpropenoyl thiosemicarbazide (CAS 58064-68-9), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: (3-phenylprop-2-enoylamino)thiourea.
Chemical Property Profile of Phenylpropenoyl thiosemicarbazide
Property Insights of Phenylpropenoyl thiosemicarbazide
The XLogP value of 0.5642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylpropenoyl thiosemicarbazide. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylpropenoyl thiosemicarbazide. Following Lipinski's Rule of Five, Phenylpropenoyl thiosemicarbazide has 3 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 Phenylpropenoyl thiosemicarbazide?
The CAS number of Phenylpropenoyl thiosemicarbazide is 58064-68-9.
What is the molecular formula of Phenylpropenoyl thiosemicarbazide?
The molecular formula of Phenylpropenoyl thiosemicarbazide is C10H11N3OS.
What is the molecular weight of Phenylpropenoyl thiosemicarbazide?
The molecular weight of Phenylpropenoyl thiosemicarbazide is 221.06 g/mol.
Where can I buy Phenylpropenoyl thiosemicarbazide?
You can request a quote for Phenylpropenoyl thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylpropenoyl thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for Phenylpropenoyl thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.