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5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CAS 116710-58-8) is a chemical compound with molecular formula C16H12N4S3 and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-phenyl-1,3,4-thiadiazol-2-amine
Also Known As: BIM-0001808.P001, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine, AF-399/14862059, 5-((benzo[d]thiazol-2-ylthio)methyl)-N-phenyl-1,3,4-thiadiazol-2-amine, F0786-0012
| Molecular Formula | C16H12N4S3 |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 5.1837 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.0224 |
| Heavy Atoms | 23 |
| Complexity | 884.143 |
Chemical Identifiers
| CAS Number | 116710-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=C(S2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CAS 116710-58-8), with molecular formula C16H12N4S3 and molecular weight 356.02 g/mol. IUPAC: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-phenyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
The XLogP value of 5.1837 indicates that 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is 116710-58-8.
What is the molecular formula of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is C16H12N4S3.
What is the molecular weight of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is 356.02 g/mol.
Where can I buy 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.