4-Ethylbenzenecarbothioamide
TL;DR: 4-Ethylbenzenecarbothioamide (CAS 57774-76-2) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylbenzenecarbothioamide
Also Known As: 4-ethyl-thiobenzamide, 4-ethylbenzothioamide, 4-ethylbenzenecarbothioamide, 4-ethylthiobenzamide, Benzenecarbothioamide,4-ethyl-
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 1.8832 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 250.77017 |
Chemical Identifiers
| CAS Number | 57774-76-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=S)N |
Product Overview
4-Ethylbenzenecarbothioamide (CAS 57774-76-2), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: 4-ethylbenzenecarbothioamide.
Chemical Property Profile of 4-Ethylbenzenecarbothioamide
Property Insights of 4-Ethylbenzenecarbothioamide
The XLogP value of 1.8832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 4-Ethylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzenecarbothioamide 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 4-Ethylbenzenecarbothioamide?
The CAS number of 4-Ethylbenzenecarbothioamide is 57774-76-2.
What is the molecular formula of 4-Ethylbenzenecarbothioamide?
The molecular formula of 4-Ethylbenzenecarbothioamide is C9H11NS.
What is the molecular weight of 4-Ethylbenzenecarbothioamide?
The molecular weight of 4-Ethylbenzenecarbothioamide is 165.06 g/mol.
Where can I buy 4-Ethylbenzenecarbothioamide?
You can request a quote for 4-Ethylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.