Benzenecarbothioamide, N-(1,1-dimethylethyl)-
TL;DR: Benzenecarbothioamide, N-(1,1-dimethylethyl)- (CAS 58065-65-9) 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-tert-butylbenzenecarbothioamide
Also Known As: N-tert-butylthiobenzamide, N-(t-butyl)-thiobenzamide, N-(tert-butyl)benzothioamide, N-tert-butylbenzenecarbothioamide, N-(tert-Butyl)benzenecarbothioamide
| Molecular Formula | C11H15NS |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.7502 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.09251 |
| Heavy Atoms | 13 |
| Complexity | 284.70862 |
Chemical Identifiers
| CAS Number | 58065-65-9 |
|---|---|
| SMILES | CC(C)(C)NC(=S)C1=CC=CC=C1 |
Product Overview
Benzenecarbothioamide, N-(1,1-dimethylethyl)- (CAS 58065-65-9), with molecular formula C11H15NS and molecular weight 193.09 g/mol. IUPAC: N-tert-butylbenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, N-(1,1-dimethylethyl)-
Property Insights of Benzenecarbothioamide, N-(1,1-dimethylethyl)-
The XLogP value of 2.7502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, N-(1,1-dimethylethyl)-. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenecarbothioamide, N-(1,1-dimethylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-(1,1-dimethylethyl)- 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 Benzenecarbothioamide, N-(1,1-dimethylethyl)-?
The CAS number of Benzenecarbothioamide, N-(1,1-dimethylethyl)- is 58065-65-9.
What is the molecular formula of Benzenecarbothioamide, N-(1,1-dimethylethyl)-?
The molecular formula of Benzenecarbothioamide, N-(1,1-dimethylethyl)- is C11H15NS.
What is the molecular weight of Benzenecarbothioamide, N-(1,1-dimethylethyl)-?
The molecular weight of Benzenecarbothioamide, N-(1,1-dimethylethyl)- is 193.09 g/mol.
Where can I buy Benzenecarbothioamide, N-(1,1-dimethylethyl)-?
You can request a quote for Benzenecarbothioamide, N-(1,1-dimethylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, N-(1,1-dimethylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, N-(1,1-dimethylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.