4-tert-Butylbenzene-1-carbothioamide
TL;DR: 4-tert-Butylbenzene-1-carbothioamide (CAS 57774-77-3) 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.
4-tert-butylbenzenecarbothioamide
Also Known As: 4-(tert-Butyl)benzothioamide, 4-tert-Butylthiobenzamide, 4-tert-butylbenzenecarbothioamide, 4-(tert-butyl)benzene-1-carbothioamide, 4-tert-butylbenzene-1-carbothioamide
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.6183 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 305.85733 |
Chemical Identifiers
| CAS Number | 57774-77-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=S)N |
Product Overview
4-tert-Butylbenzene-1-carbothioamide (CAS 57774-77-3), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: 4-tert-butylbenzenecarbothioamide.
Chemical Property Profile of 4-tert-Butylbenzene-1-carbothioamide
Property Insights of 4-tert-Butylbenzene-1-carbothioamide
The XLogP value of 2.6183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylbenzene-1-carbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 4-tert-Butylbenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylbenzene-1-carbothioamide 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-tert-Butylbenzene-1-carbothioamide?
The CAS number of 4-tert-Butylbenzene-1-carbothioamide is 57774-77-3.
What is the molecular formula of 4-tert-Butylbenzene-1-carbothioamide?
The molecular formula of 4-tert-Butylbenzene-1-carbothioamide is C11H15NS.
What is the molecular weight of 4-tert-Butylbenzene-1-carbothioamide?
The molecular weight of 4-tert-Butylbenzene-1-carbothioamide is 193.09 g/mol.
Where can I buy 4-tert-Butylbenzene-1-carbothioamide?
You can request a quote for 4-tert-Butylbenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylbenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylbenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.