(But-2-enylideneamino)thiourea
TL;DR: (But-2-enylideneamino)thiourea (CAS 22113-96-8) is a chemical compound with molecular formula C5H9N3S and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(but-2-enylideneamino)thiourea
Also Known As: Crotonaldehyde thiosemicarbazone, (but-2-enylideneamino)thiourea
| Molecular Formula | C5H9N3S |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 0.3815 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.05171 |
| Heavy Atoms | 9 |
| Complexity | 139.13853 |
Chemical Identifiers
| CAS Number | 22113-96-8 |
|---|---|
| SMILES | CC=CC=NNC(=S)N |
Product Overview
(But-2-enylideneamino)thiourea (CAS 22113-96-8), with molecular formula C5H9N3S and molecular weight 143.05 g/mol. IUPAC: (but-2-enylideneamino)thiourea.
Chemical Property Profile of (But-2-enylideneamino)thiourea
Property Insights of (But-2-enylideneamino)thiourea
The XLogP value of 0.3815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (But-2-enylideneamino)thiourea. With a topological polar surface area (TPSA) of 50.41 Ų, (But-2-enylideneamino)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (But-2-enylideneamino)thiourea has 2 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 (But-2-enylideneamino)thiourea?
The CAS number of (But-2-enylideneamino)thiourea is 22113-96-8.
What is the molecular formula of (But-2-enylideneamino)thiourea?
The molecular formula of (But-2-enylideneamino)thiourea is C5H9N3S.
What is the molecular weight of (But-2-enylideneamino)thiourea?
The molecular weight of (But-2-enylideneamino)thiourea is 143.05 g/mol.
Where can I buy (But-2-enylideneamino)thiourea?
You can request a quote for (But-2-enylideneamino)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (But-2-enylideneamino)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (But-2-enylideneamino)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.