S-phenyl N-buta-1,3-dienylcarbamothioate
TL;DR: S-phenyl N-buta-1,3-dienylcarbamothioate (CAS 61759-58-8) is a chemical compound with molecular formula C11H11NOS and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-buta-1,3-dienylcarbamothioate
Also Known As: S-phenyl N-buta-1,3-dienylcarbamothioate, Carbamothioic acid,1,3-butadienyl-, S-phenyl ester, (E)- (9CI)
| Molecular Formula | C11H11NOS |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.05614 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 61759-58-8 |
|---|---|
| SMILES | C=CC=CNC(=O)SC1=CC=CC=C1 |
| InChIKey | WBOLGJRDTSSVSA-UHFFFAOYSA-N |
Product Overview
S-phenyl N-buta-1,3-dienylcarbamothioate (CAS 61759-58-8), with molecular formula C11H11NOS and molecular weight 205.06 g/mol. IUPAC: S-phenyl N-buta-1,3-dienylcarbamothioate.
Chemical Property Profile of S-phenyl N-buta-1,3-dienylcarbamothioate
Property Insights of S-phenyl N-buta-1,3-dienylcarbamothioate
The XLogP value of 3.2 indicates that S-phenyl N-buta-1,3-dienylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, S-phenyl N-buta-1,3-dienylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl N-buta-1,3-dienylcarbamothioate has 1 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 S-phenyl N-buta-1,3-dienylcarbamothioate?
The CAS number of S-phenyl N-buta-1,3-dienylcarbamothioate is 61759-58-8.
What is the molecular formula of S-phenyl N-buta-1,3-dienylcarbamothioate?
The molecular formula of S-phenyl N-buta-1,3-dienylcarbamothioate is C11H11NOS.
What is the molecular weight of S-phenyl N-buta-1,3-dienylcarbamothioate?
The molecular weight of S-phenyl N-buta-1,3-dienylcarbamothioate is 205.06 g/mol.
Where can I buy S-phenyl N-buta-1,3-dienylcarbamothioate?
You can request a quote for S-phenyl N-buta-1,3-dienylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl N-buta-1,3-dienylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl N-buta-1,3-dienylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.