Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
TL;DR: Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- (CAS 127351-08-0) is a chemical compound with molecular formula C14H12BrNOS and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(4-methoxyphenyl)benzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-, 2-fluoro-4-nitrophenyl hydrazine, 3-bromo-N-(4-methoxyphenyl)benzenecarbothioamide, N-(4-Methoxyphenyl)-3-bromothiobenzamide
| Molecular Formula | C14H12BrNOS |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 4.2453 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.9823 |
| Heavy Atoms | 18 |
| Complexity | 553.9754 |
Chemical Identifiers
| CAS Number | 127351-08-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)C2=CC(=CC=C2)Br |
Product Overview
Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- (CAS 127351-08-0), with molecular formula C14H12BrNOS and molecular weight 320.98 g/mol. IUPAC: 3-bromo-N-(4-methoxyphenyl)benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
Property Insights of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
The XLogP value of 4.2453 indicates that Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- has 1 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 Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-?
The CAS number of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- is 127351-08-0.
What is the molecular formula of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-?
The molecular formula of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- is C14H12BrNOS.
What is the molecular weight of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-?
The molecular weight of Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- is 320.98 g/mol.
Where can I buy Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-?
You can request a quote for Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.