N-butyryl-N'-(2-chlorophenyl)thiourea
TL;DR: N-butyryl-N'-(2-chlorophenyl)thiourea (CAS 21258-40-2) is a chemical compound with molecular formula C11H13ClN2OS and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)carbamothioyl]butanamide
Also Known As: N-butyryl-N'-(2-chlorophenyl)thiourea, N-[(2-chlorophenyl)carbamothioyl]butanamide, N-{[(2-chlorophenyl)amino]thioxomethyl}butanamide
| Molecular Formula | C11H13ClN2OS |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0437 |
| Heavy Atoms | 16 |
| Complexity | 395.32587 |
Chemical Identifiers
| CAS Number | 21258-40-2 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC=CC=C1Cl |
Product Overview
N-butyryl-N'-(2-chlorophenyl)thiourea (CAS 21258-40-2), with molecular formula C11H13ClN2OS and molecular weight 256.04 g/mol. IUPAC: N-[(2-chlorophenyl)carbamothioyl]butanamide.
Chemical Property Profile of N-butyryl-N'-(2-chlorophenyl)thiourea
Property Insights of N-butyryl-N'-(2-chlorophenyl)thiourea
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyryl-N'-(2-chlorophenyl)thiourea. With a topological polar surface area (TPSA) of 41.13 Ų, N-butyryl-N'-(2-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyryl-N'-(2-chlorophenyl)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'-(2-chlorophenyl)thiourea?
The CAS number of N-butyryl-N'-(2-chlorophenyl)thiourea is 21258-40-2.
What is the molecular formula of N-butyryl-N'-(2-chlorophenyl)thiourea?
The molecular formula of N-butyryl-N'-(2-chlorophenyl)thiourea is C11H13ClN2OS.
What is the molecular weight of N-butyryl-N'-(2-chlorophenyl)thiourea?
The molecular weight of N-butyryl-N'-(2-chlorophenyl)thiourea is 256.04 g/mol.
Where can I buy N-butyryl-N'-(2-chlorophenyl)thiourea?
You can request a quote for N-butyryl-N'-(2-chlorophenyl)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'-(2-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-butyryl-N'-(2-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.