N-(4-bromophenyl)-4-chlorodithiazol-5-imine

Base Information

• Chemical Name: N-(4-bromophenyl)-4-chlorodithiazol-5-imine
• CAS No.: 75318-53-5
• Molecular Formula: C₈H₄BrClN₂S₂
• Molecular Weight: 307.622
• DSSTox Substance ID: DTXSID10351974
• Nikkaji Number: J628.730A
• ChEMBL ID: CHEMBL1708334
• Mol file: 75318-53-5.mol

Synonyms:75318-53-5;N-(4-bromophenyl)-4-chlorodithiazol-5-imine;MLS000728902;(5Z)-N-(4-bromophenyl)-4-chloro-5H-1,2,3-dithiazol-5-imine;SMR000307180;N-(4-bromophenyl)-N-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]amine;HMS2729D14;ST4094200;cid_715703;CHEMBL1708334;BDBM33178;DTXSID10351974;STK774012;AKOS001729694;N-(4-bromophenyl)-4-chloro-5-dithiazolimine;MLS-0390830.0001;11K-046;(4-bromophenyl)-(4-chlorodithiazol-5-ylidene)amine;N-(4-bromophenyl)-4-chloranyl-1,2,3-dithiazol-5-imine;4-bromo-N-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]aniline

Chemical Property of N-(4-bromophenyl)-4-chlorodithiazol-5-imine

Chemical Property:

• PSA: 81.73000
• LogP: 3.85290
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 305.86878
• Heavy Atom Count: 14
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

N-(4-BROMOPHENYL)-N-(4-CHLORO-5H-1,2,3-DITHIAZOL-5-YLIDEN)AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C2C(=NSS2)Cl)Br

Technology Process of N-(4-bromophenyl)-4-chlorodithiazol-5-imine

There total 1 articles about N-(4-bromophenyl)-4-chlorodithiazol-5-imine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4,5-dichloro-1,2,3-dithiazolium chloride (75318-43-3) + 4-bromo-aniline (106-40-1) → 5-<(4-Bromiophenyl)imino>-4-chloro-5H-1,2,3-dithiazole (75318-53-5)

Guidance literature:

4,5-dichloro-1,2,3-dithiazolium chloride; 4-bromo-aniline; In dichloromethane; at 20 ℃; for 2h;

With pyridine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2021.128078

upstream raw materials:

4,5-dichloro-1,2,3-dithiazolium chloride

4-bromo-aniline