4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol
TL;DR: 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol (CAS 126164-78-1) is a chemical compound with molecular formula C20H16BrN3S and molecular weight 409.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-amino-5-bromophenyl)-1,4-diphenyl-1,3-diazetidine-2-thione
Also Known As: (Z)-((2-Amino-5-bromophenyl)phenylmethylene)phenylthiourea, Thiourea, ((2-amino-5-bromophenyl)phenylmethylene)phenyl-, (Z)-, 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol, 4-(2-amino-5-bromophenyl)-1,4-diphenyl-1,3-diazetidine-2-thione
Technical Specifications
| Molecular Formula | C20H16BrN3S |
| Molecular Weight | 409.02484 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.02484 Da |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
| SMILES | C1=CC=C(C=C1)C2(NC(=S)N2C3=CC=CC=C3)C4=C(C=CC(=C4)Br)N |
| InChIKey | XKIAEBDAIISATG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol
Property Insights of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol
The XLogP value of 4.6 indicates that 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol. Following Lipinski's Rule of Five, 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol?
The CAS number of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol is 126164-78-1.
What is the molecular formula of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol?
The molecular formula of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol is C20H16BrN3S.
What is the molecular weight of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol?
The molecular weight of 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol is 409.02484 g/mol.
Where can I buy 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol?
You can request a quote for 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol?
Yes, CoreyChem provides custom synthesis services for 4-(2-Amino-5-bromophenyl)-1,4-diphenyl-1,4-dihydro-1,3-diazete-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.