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7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione structure
Fine Chemical

7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione

TL;DR: 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione (CAS 122772-40-1) is a chemical compound with molecular formula C22H15ClN4S2 and molecular weight 434.04266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

7-(4-chlorophenyl)-2,6-diphenyl-7H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione

Also Known As: 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione, 7-(4-chlorophenyl)-2,6-diphenyl-7H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione, 4-(4-chlorophenyl)-3,8-diphenyl-7-thia-1,3,5,9-tetrazabicyclo[4.3.0]nona-5,8-diene-2-thione, 7-(4-Chlorophenyl)-2,6-diphenyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5-thione

CAS Number
122772-40-1
Molecular Formula
C22H15ClN4S2
Molecular Weight
434.04266 g/mol
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Technical Specifications

Molecular FormulaC22H15ClN4S2
Molecular Weight434.04266 g/mol
XLogP6.2
Topological Polar Surface Area (TPSA)88.6 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass434.04266 Da
Heavy Atoms29
Complexity676.0
SMILESC1=CC=C(C=C1)C2=NN3C(=NC(N(C3=S)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)S2
InChIKeyNLKHQEJWHQVHTJ-UHFFFAOYSA-N

Chemical Property Profile of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione

XLogP
6.2
TPSA (Topological Polar Surface Area)
88.6
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
29
Complexity
676.0
Exact Mass
434.04266
Monoisotopic Mass
434.04266
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione

The XLogP value of 6.2 indicates that 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione?

The CAS number of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is 122772-40-1.

What is the molecular formula of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione?

The molecular formula of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is C22H15ClN4S2.

What is the molecular weight of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione?

The molecular weight of 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione is 434.04266 g/mol.

Where can I buy 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione?

You can request a quote for 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione?

Yes, CoreyChem provides custom synthesis services for 7-(4-Chlorophenyl)-6,7-dihydro-2,6-diphenyl-5H-1,3,4-thiadiazolo[3,2-a][1,3,5]triazine-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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