N-butylbenzenecarbothioamide
TL;DR: N-butylbenzenecarbothioamide (CAS 5589-01-5) is a chemical compound with molecular formula C11H15NS and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butylbenzenecarbothioamide
Also Known As: N-butylbenzothioamide, N-Butylthiobenzamide, N-butylbenzenecarbothioamide
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.7518 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 256.0526 |
Chemical Identifiers
| CAS Number | 5589-01-5 |
|---|---|
| SMILES | CCCCNC(=S)C1=CC=CC=C1 |
Product Overview
N-butylbenzenecarbothioamide (CAS 5589-01-5), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: N-butylbenzenecarbothioamide.
Chemical Property Profile of N-butylbenzenecarbothioamide
Property Insights of N-butylbenzenecarbothioamide
The XLogP value of 2.7518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 12.03 Ų, N-butylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butylbenzenecarbothioamide has 1 hydrogen bond donor(s) and 1 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-butylbenzenecarbothioamide?
The CAS number of N-butylbenzenecarbothioamide is 5589-01-5.
What is the molecular formula of N-butylbenzenecarbothioamide?
The molecular formula of N-butylbenzenecarbothioamide is C11H15NS.
What is the molecular weight of N-butylbenzenecarbothioamide?
The molecular weight of N-butylbenzenecarbothioamide is 193.09 g/mol.
Where can I buy N-butylbenzenecarbothioamide?
You can request a quote for N-butylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-butylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.