N-butyryl-N'-(3,5-dichlorophenyl)thiourea
TL;DR: N-butyryl-N'-(3,5-dichlorophenyl)thiourea (CAS 429642-29-5) is a chemical compound with molecular formula C11H12Cl2N2OS and molecular weight 290.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dichlorophenyl)carbamothioyl]butanamide
Also Known As: N-butyryl-N'-(3,5-dichlorophenyl)thiourea, N-[(3,5-dichlorophenyl)carbamothioyl]butanamide
| Molecular Formula | C11H12Cl2N2OS |
|---|---|
| Molecular Weight | 290.00 g/mol |
| LogP | 3.6065 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.00473 |
| Heavy Atoms | 17 |
| Complexity | 417.22964 |
Chemical Identifiers
| CAS Number | 429642-29-5 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC(=CC(=C1)Cl)Cl |
Product Overview
N-butyryl-N'-(3,5-dichlorophenyl)thiourea (CAS 429642-29-5), with molecular formula C11H12Cl2N2OS and molecular weight 290.00 g/mol. IUPAC: N-[(3,5-dichlorophenyl)carbamothioyl]butanamide.
Chemical Property Profile of N-butyryl-N'-(3,5-dichlorophenyl)thiourea
Property Insights of N-butyryl-N'-(3,5-dichlorophenyl)thiourea
The XLogP value of 3.6065 indicates that N-butyryl-N'-(3,5-dichlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-butyryl-N'-(3,5-dichlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyryl-N'-(3,5-dichlorophenyl)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 N-butyryl-N'-(3,5-dichlorophenyl)thiourea?
The CAS number of N-butyryl-N'-(3,5-dichlorophenyl)thiourea is 429642-29-5.
What is the molecular formula of N-butyryl-N'-(3,5-dichlorophenyl)thiourea?
The molecular formula of N-butyryl-N'-(3,5-dichlorophenyl)thiourea is C11H12Cl2N2OS.
What is the molecular weight of N-butyryl-N'-(3,5-dichlorophenyl)thiourea?
The molecular weight of N-butyryl-N'-(3,5-dichlorophenyl)thiourea is 290.00 g/mol.
Where can I buy N-butyryl-N'-(3,5-dichlorophenyl)thiourea?
You can request a quote for N-butyryl-N'-(3,5-dichlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyryl-N'-(3,5-dichlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-butyryl-N'-(3,5-dichlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.