Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-
TL;DR: Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- (CAS 127367-98-0) is a chemical compound with molecular formula C13H8BrCl2NS and molecular weight 358.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3,4-dichlorophenyl)benzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-, N-(3,4-Dichlorophenyl)-3-bromothiobenzamide, J1.248.166G, 3-bromo-N-(3,4-dichlorophenyl)benzenecarbothioamide
| Molecular Formula | C13H8BrCl2NS |
|---|---|
| Molecular Weight | 358.89 g/mol |
| LogP | 5.5435 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.8938 |
| Heavy Atoms | 18 |
| Complexity | 601.29517 |
Chemical Identifiers
| CAS Number | 127367-98-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=S)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- (CAS 127367-98-0), with molecular formula C13H8BrCl2NS and molecular weight 358.89 g/mol. IUPAC: 3-bromo-N-(3,4-dichlorophenyl)benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-
Property Insights of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-
The XLogP value of 5.5435 indicates that Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-?
The CAS number of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- is 127367-98-0.
What is the molecular formula of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-?
The molecular formula of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- is C13H8BrCl2NS.
What is the molecular weight of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-?
The molecular weight of Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- is 358.89 g/mol.
Where can I buy Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)-?
You can request a quote for Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- 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-(3,4-dichlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 3-bromo-N-(3,4-dichlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.