Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-
TL;DR: Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- (CAS 127351-11-5) is a chemical compound with molecular formula C13H9Br2NS and molecular weight 368.88226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-N-(4-bromophenyl)benzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-, N-(4-Bromophenyl)-3-bromothiobenzamide, 3-bromo-N-(4-bromophenyl)benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)benzene-1-carbothioamide
Technical Specifications
| Molecular Formula | C13H9Br2NS |
| Molecular Weight | 368.88226 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.88226 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | C1=CC(=CC(=C1)Br)C(=S)NC2=CC=C(C=C2)Br |
| InChIKey | RMPOMJGFHQTAPH-UHFFFAOYSA-N |
Chemical Property Profile of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-
Property Insights of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-
The XLogP value of 4.4 indicates that Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- 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
What is the CAS number of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-?
The CAS number of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- is 127351-11-5.
What is the molecular formula of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-?
The molecular formula of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- is C13H9Br2NS.
What is the molecular weight of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-?
The molecular weight of Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- is 368.88226 g/mol.
Where can I buy Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-?
You can request a quote for Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)-?
Yes, CoreyChem provides custom synthesis services for Benzenecarbothioamide, 3-bromo-N-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.